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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:06:49 UTC
Update Date2025-03-25 00:56:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02217107
Frequency0.5
Structure
Chemical FormulaC9H11N5O
Molecular Mass205.0964
SMILESCC(O)c1cnc2c(N)ncnc2c1N
InChI KeyKKMRWHICSZZJMH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridopyrimidines
Subclass pyridopyrimidines
Direct Parent pyridopyrimidines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • aromatic alcohols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • imidolactams
  • methylpyridines
  • organopnictogen compounds
  • polyhalopyridines
  • primary amines
  • pyrimidines and pyrimidine derivatives
  • secondary alcohols
    • Substituents
  • aromatic alcohol
  • alcohol
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • hydroxypyridine
  • methylpyridine
  • pyrimidine
  • pyridine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • secondary alcohol
  • pyridopyrimidine
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • 2-halopyridine
  • organic nitrogen compound
  • imidolactam
  • amine
  • organooxygen compound