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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:55:33 UTC
Update Date2025-03-25 00:52:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02191098
Frequency0.5
Structure
Chemical FormulaC17H21N5O2
Molecular Mass327.1695
SMILESC=CC1(O)CN2CCC1CC2C(O)c1ccnc2c(N)ncnc12
InChI KeyVEYPVBAJQOJLML-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridopyrimidines
Subclass pyridopyrimidines
Direct Parent pyridopyrimidines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • 2-halopyridines
  • aromatic alcohols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • imidolactams
  • organopnictogen compounds
  • piperidines
  • polyhalopyridines
  • primary amines
  • pyrimidines and pyrimidine derivatives
  • quinuclidines
  • secondary alcohols
  • tertiary alcohols
  • trialkylamines
    • Substituents
  • aromatic alcohol
  • polyhalopyridine
  • quinuclidine
  • pyrimidine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • pyridopyrimidine
  • organopnictogen compound
  • 2-halopyridine
  • imidolactam
  • piperidine
  • tertiary amine
  • alcohol
  • azacycle
  • 1,2-aminoalcohol
  • heteroaromatic compound
  • tertiary aliphatic amine
  • hydroxypyridine
  • tertiary alcohol
  • pyridine
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound