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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:22:10 UTC
Update Date2025-03-21 18:37:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00115586
Frequency35.4
Structure
Chemical FormulaC9H12N6O2
Molecular Mass236.1022
SMILESCC(O)C(=O)C1=Nc2c(N)nc(N)nc2NC1
InChI KeyORJKCUKJAWVTIK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpteridines and derivatives
Subclass pteridines and derivatives
Direct Parent pteridines and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acyloins
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • ketimines
  • ketones
  • organic oxides
  • organopnictogen compounds
  • primary amines
  • propargyl-type 1,3-dipolar organic compounds
  • pyrimidines and pyrimidine derivatives
  • secondary alcohols
  • secondary alkylarylamines
    • Substituents
  • ketimine
  • carbonyl group
  • imine
  • pteridine
  • pyrimidine
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • imidolactam
  • alcohol
  • azacycle
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • secondary amine
  • secondary aliphatic/aromatic amine
  • organic oxygen compound
  • acyloin
  • secondary alcohol
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound