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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:08 UTC
Update Date2025-03-25 01:01:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02247457
Frequency0.5
Structure
Chemical FormulaC14H13N5O
Molecular Mass267.112
SMILESNc1nc2c(NCc3ccccc3)ccnc2c(=O)[nH]1
InChI KeyCHROSVBJABTUMU-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
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • primary amines
  • pyridines and derivatives
  • pyrimidones
  • secondary alkylarylamines
    • Substituents
  • monocyclic benzene moiety
  • lactam
  • polyhalopyridine
  • pyrimidone
  • pyrimidine
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • pyridopyrimidine
  • organopnictogen compound
  • 2-halopyridine
  • azacycle
  • heteroaromatic compound
  • secondary amine
  • secondary aliphatic/aromatic amine
  • pyridine
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound