Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:02:07 UTC
Update Date2025-03-21 18:07:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00067215
Frequency74.4
Structure
Chemical FormulaC7H8N4O
Molecular Mass164.0698
SMILESCn1ccc2c(=O)nc(N)[nH]c21
InChI KeyZPCBWFNVTDNYTB-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
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • n-methylpyrroles
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • pyrimidones
  • substituted pyrroles
  • vinylogous amides
  • Substituents
  • vinylogous amide
  • n-methylpyrrole
  • azacycle
  • heteroaromatic compound
  • pyrimidone
  • substituted pyrrole
  • pyrimidine
  • organic oxide
  • pyrrolo[2,3-d]pyrimidine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound