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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 > 3-isobutyl-1-methylxanthine > 3-isobutyl-1-methyl-9h-xanthine
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > imidazopyrimidine > purines > oxopurine > 3-isobutyl-1-methylxanthine > 3-isobutyl-1-methyl-9h-xanthine
... > 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 > 3-isobutyl-1-methylxanthine > 3-isobutyl-1-methyl-9h-xanthine
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > imidazopyrimidine > purines > oxopurine > 3-isobutyl-1-methylxanthine > 3-isobutyl-1-methyl-9h-xanthine
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > imidazopyrimidine > purines > oxopurine > 3-isobutyl-1-methylxanthine > 3-isobutyl-1-methyl-9h-xanthine
... > 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 > 3-isobutyl-1-methylxanthine > 3-isobutyl-1-methyl-9h-xanthine
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > imidazopyrimidine > purines > oxopurine > 3-isobutyl-1-methylxanthine > 3-isobutyl-1-methyl-9h-xanthine
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > heteroarene > imidazopyrimidine > purines > oxopurine > 3-isobutyl-1-methylxanthine > 3-isobutyl-1-methyl-9h-xanthine
... > 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 > 3-isobutyl-1-methylxanthine > 3-isobutyl-1-methyl-9h-xanthine
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > heteroarene > imidazopyrimidine > purines > oxopurine > 3-isobutyl-1-methylxanthine > 3-isobutyl-1-methyl-9h-xanthine
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > heteroarene > imidazopyrimidine > purines > oxopurine > 3-isobutyl-1-methylxanthine > 3-isobutyl-1-methyl-9h-xanthine
... > 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 > 3-isobutyl-1-methylxanthine > 3-isobutyl-1-methyl-9h-xanthine
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > heteroarene > imidazopyrimidine > purines > oxopurine > 3-isobutyl-1-methylxanthine > 3-isobutyl-1-methyl-9h-xanthine

Preferred term

3-isobutyl-1-methyl-9h-xanthine  

Type

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

Broader concept

charge

  • 0

formula

  • C10H14N4O2

has_functional_parent

inchi

  • InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)

inchikey

  • APIXJSLKIYYUKG-UHFFFAOYSA-N

is_tautomer_of

mass

  • 222.24392

monoisotopicmass

  • 222.11168

smiles

  • CC(C)Cn1c2[nH]cnc2c(=O)n(C)c1=O

subset

  • 3_STAR

synonym EXACT

  • 1-methyl-3-(2-methylpropyl)-3,9-dihydro-1H-purine-2,6-dione

synonym RELATED

  • 3-isobutyl-1-methyl-3,9-dihydro-1H-purine-2,6-dione
  • 3-ISOBUTYL-1-METHYLXANTHINE

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:43253

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