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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:27 UTC
Update Date2025-03-25 00:56:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02218573
Frequency0.5
Structure
Chemical FormulaC9H8N6O
Molecular Mass216.076
SMILESCn1cnc2c3ncnc(N)c3c(=O)[nH]c21
InChI KeyJTLYZOJRPKBEAR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridopyrimidines
Subclass pyridopyrimidines
Direct Parent pyridopyrimidines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • imidazopyridines
  • imidolactams
  • lactams
  • methylpyridines
  • n-substituted imidazoles
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • primary amines
  • pyridinones
  • pyrimidines and pyrimidine derivatives
  • vinylogous amides
    • Substituents
  • lactam
  • polyhalopyridine
  • imidazopyridine
  • pyrimidine
  • organic oxide
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • pyridopyrimidine
  • organopnictogen compound
  • 2-halopyridine
  • imidolactam
  • azole
  • n-substituted imidazole
  • vinylogous amide
  • azacycle
  • heteroaromatic compound
  • methylpyridine
  • pyridine
  • organic oxygen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • pyridinone
  • amine
  • organooxygen compound