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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:09 UTC
Update Date2025-03-25 00:51:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02185650
Frequency0.5
Structure
Chemical FormulaC9H11N5O
Molecular Mass205.0964
SMILESNc1nc(NCCO)nc2cccnc12
InChI KeyOWAPYSCFXNZRPJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridopyrimidines
Subclass pyridopyrimidines
Direct Parent pyridopyrimidines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • alcohols and polyols
  • alkanolamines
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • imidolactams
  • organopnictogen compounds
  • polyhalopyridines
  • primary amines
  • pyrimidines and pyrimidine derivatives
  • secondary alkylarylamines
    • Substituents
  • alcohol
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • hydroxypyridine
  • secondary amine
  • secondary aliphatic/aromatic amine
  • pyrimidine
  • pyridine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • pyridopyrimidine
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • 2-halopyridine
  • organic nitrogen compound
  • imidolactam
  • amine
  • organooxygen compound
  • alkanolamine