Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:32 UTC
Update Date2025-03-25 00:57:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02225585
Frequency0.5
Structure
Chemical FormulaC9H13N5O
Molecular Mass207.112
SMILESCC(C)C1=NCc2c([nH]c(N)nc2=O)N1
InChI KeyVAOVPRCULWUTKB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • amidines
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • propargyl-type 1,3-dipolar organic compounds
  • vinylogous amides
  • Substituents
  • vinylogous amide
  • azacycle
  • heteroaromatic compound
  • pyrimidone
  • organic 1,3-dipolar compound
  • amidine
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • imidolactam
  • amine
  • organooxygen compound