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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:16:40 UTC
Update Date2025-03-25 00:59:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02239321
Frequency0.5
Structure
Chemical FormulaC14H15N5O
Molecular Mass269.1277
SMILESCn1c(=N)[nH]c(=O)c2c(CNc3ccccc3)c[nH]c21
InChI KeySKSYCNZNWNHJAB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolopyrimidines
Subclass pyrrolo[2,3-d]pyrimidines
Direct Parent pyrrolo[2,3-d]pyrimidines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • phenylalkylamines
  • pyrimidones
  • pyrroles
  • secondary alkylarylamines
  • vinylogous amides
  • Substituents
  • monocyclic benzene moiety
  • lactam
  • pyrimidone
  • pyrimidine
  • organic oxide
  • pyrrolo[2,3-d]pyrimidine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • vinylogous amide
  • azacycle
  • heteroaromatic compound
  • secondary amine
  • secondary aliphatic/aromatic amine
  • organic oxygen compound
  • pyrrole
  • phenylalkylamine
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound