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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:02:41 UTC
Update Date2025-03-21 18:07:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00068595
Frequency44.1
Structure
Chemical FormulaC10H17N5O2
Molecular Mass239.1382
SMILESCC(O)C(N)C1CNc2[nH]c(N)nc(=O)c2C1
InChI KeyARRRWXIHHYIICO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridopyrimidines
Subclass pyridopyrimidines
Direct Parent pyridopyrimidines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organopnictogen compounds
  • pyridines and derivatives
  • pyrimidones
  • secondary alcohols
  • secondary alkylarylamines
  • vinylogous amides
    • Substituents
  • alcohol
  • vinylogous amide
  • azacycle
  • heteroaromatic compound
  • pyrimidone
  • secondary amine
  • secondary aliphatic/aromatic amine
  • pyrimidine
  • organic oxide
  • pyridine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • secondary alcohol
  • pyridopyrimidine
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound