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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:56 UTC
Update Date2025-03-25 00:46:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155695
Frequency0.5
Structure
Chemical FormulaC12H10N4O
Molecular Mass226.0855
SMILESCc1ccc2cc3[nH]c(N)nc(=O)c3nc2c1
InChI KeyQBKVWTPKOCAINA-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
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • primary amines
  • pyrimidones
  • quinolines and derivatives
  • vinylogous amides
    • Substituents
  • vinylogous amide
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • pyrimidone
  • methylpyridine
  • pyrimidine
  • organic oxide
  • pyridine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • quinoline
  • pyridopyrimidine
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • 2-halopyridine
  • organic nitrogen compound
  • amine
  • organooxygen compound