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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:47 UTC
Update Date2025-03-25 01:02:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02253409
Frequency0.5
Structure
Chemical FormulaC13H11N5O
Molecular Mass253.0964
SMILESNc1ncnc2c(Nc3ccc(O)cc3)ccnc12
InChI KeyVXWUMGWXMKXKSR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridopyrimidines
Subclass pyridopyrimidines
Direct Parent pyridopyrimidines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 2-halopyridines
  • azacyclic compounds
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • imidolactams
  • organooxygen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • primary amines
  • pyrimidines and pyrimidine derivatives
  • secondary amines
    • Substituents
  • monocyclic benzene moiety
  • polyhalopyridine
  • 1-hydroxy-2-unsubstituted benzenoid
  • pyrimidine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • pyridopyrimidine
  • organopnictogen compound
  • 2-halopyridine
  • imidolactam
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • secondary amine
  • pyridine
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound