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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > halide > organohalogen compound > organochlorine compound > chlorobenzenes > monochlorobenzenes > 8-(3-chlorostyryl)caffeine
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > benzenes > chlorobenzenes > monochlorobenzenes > 8-(3-chlorostyryl)caffeine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > benzenes > chlorobenzenes > monochlorobenzenes > 8-(3-chlorostyryl)caffeine
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > benzenes > chlorobenzenes > monochlorobenzenes > 8-(3-chlorostyryl)caffeine
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > chlorobenzenes > monochlorobenzenes > 8-(3-chlorostyryl)caffeine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > chlorobenzenes > monochlorobenzenes > 8-(3-chlorostyryl)caffeine
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > chlorobenzenes > monochlorobenzenes > 8-(3-chlorostyryl)caffeine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > alkaloid > purine alkaloid > methylxanthine > trimethylxanthine > 8-(3-chlorostyryl)caffeine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > imidazopyrimidine > purines > purine alkaloid > methylxanthine > trimethylxanthine > 8-(3-chlorostyryl)caffeine
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > imidazopyrimidine > purines > purine alkaloid > methylxanthine > trimethylxanthine > 8-(3-chlorostyryl)caffeine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > imidazopyrimidine > purines > purine alkaloid > methylxanthine > trimethylxanthine > 8-(3-chlorostyryl)caffeine
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > imidazopyrimidine > purines > purine alkaloid > methylxanthine > trimethylxanthine > 8-(3-chlorostyryl)caffeine
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > imidazopyrimidine > purines > purine alkaloid > methylxanthine > trimethylxanthine > 8-(3-chlorostyryl)caffeine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > imidazopyrimidine > purines > purine alkaloid > methylxanthine > trimethylxanthine > 8-(3-chlorostyryl)caffeine
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > imidazopyrimidine > purines > purine alkaloid > methylxanthine > trimethylxanthine > 8-(3-chlorostyryl)caffeine
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > heteroarene > imidazopyrimidine > purines > purine alkaloid > methylxanthine > trimethylxanthine > 8-(3-chlorostyryl)caffeine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > heteroarene > imidazopyrimidine > purines > purine alkaloid > methylxanthine > trimethylxanthine > 8-(3-chlorostyryl)caffeine
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > heteroarene > imidazopyrimidine > purines > purine alkaloid > methylxanthine > trimethylxanthine > 8-(3-chlorostyryl)caffeine
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > heteroarene > imidazopyrimidine > purines > purine alkaloid > methylxanthine > trimethylxanthine > 8-(3-chlorostyryl)caffeine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > heteroarene > imidazopyrimidine > purines > purine alkaloid > methylxanthine > trimethylxanthine > 8-(3-chlorostyryl)caffeine
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > heteroarene > imidazopyrimidine > purines > purine alkaloid > methylxanthine > trimethylxanthine > 8-(3-chlorostyryl)caffeine

Preferred term

8-(3-chlorostyryl)caffeine  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C16H15ClN4O2

has_functional_parent

has_role

  • CHEBI:38623
  • CHEBI:53121

inchi

  • InChI=1S/C16H15ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+

inchikey

  • WBWFIUAVMCNYPG-BQYQJAHWSA-N

mass

  • 330.76900

monoisotopicmass

  • 330.08835

smiles

  • Cn1c(/C=C/c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12

subset

  • 3_STAR

synonym EXACT

  • 8-[(E)-2-(3-chlorophenyl)ethenyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione

synonym RELATED

  • CSC

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:53115

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