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Chemistry, part 2

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Concept information

... > 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 > oxopurine > caffeine-(trimethyl-(13)c3)
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > imidazopyrimidine > purines > oxopurine > caffeine-(trimethyl-(13)c3)
... > 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 > oxopurine > caffeine-(trimethyl-(13)c3)
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > imidazopyrimidine > purines > oxopurine > caffeine-(trimethyl-(13)c3)
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > imidazopyrimidine > purines > oxopurine > caffeine-(trimethyl-(13)c3)
... > 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 > oxopurine > caffeine-(trimethyl-(13)c3)
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > imidazopyrimidine > purines > oxopurine > caffeine-(trimethyl-(13)c3)
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > heteroarene > imidazopyrimidine > purines > oxopurine > caffeine-(trimethyl-(13)c3)
... > 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 > oxopurine > caffeine-(trimethyl-(13)c3)
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > heteroarene > imidazopyrimidine > purines > oxopurine > caffeine-(trimethyl-(13)c3)
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > heteroarene > imidazopyrimidine > purines > oxopurine > caffeine-(trimethyl-(13)c3)
... > 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 > oxopurine > caffeine-(trimethyl-(13)c3)
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > heteroarene > imidazopyrimidine > purines > oxopurine > caffeine-(trimethyl-(13)c3)

Preferred term

caffeine-(trimethyl-(13)c3)  

Type

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

Broader concept

charge

  • 0

formula

  • C5[13C]3H10N4O2

inchi

  • InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3/i1+1,2+1,3+1

inchikey

  • RYYVLZVUVIJVGH-VMIGTVKRSA-N

mass

  • 197.171

monoisotopicmass

  • 197.09044

smiles

  • [13CH3]N1C=NC2=C1C(=O)N([13CH3])C(=O)N2[13CH3]

subset

  • 3_STAR

synonym EXACT

  • 1,3,7-tris[((13)C)methyl]-3,7-dihydro-1H-purine-2,6-dione

synonym RELATED

  • 1,3,7-tri((13)C)methylxanthine
  • (13)C3-caffeine
  • 3,7-tri((13)C)methyl-1H-purine-2,6(3H,7H)-dione
  • caffeine-(13)C3
  • caffeine (trimethyl-(13)C3)
  • caffeine-trimethyl-(13)C3
  • methyltheobromine-(13)C3

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:178066

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