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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:13 UTC
Update Date2025-03-25 00:51:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02185798
Frequency0.5
Structure
Chemical FormulaC12H12N4O2
Molecular Mass244.096
SMILESNc1nc2c(c(=O)[nH]1)CC(c1ccc(O)cc1)N2
InChI KeyLJILBWHWQCLHCY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolopyrimidines
Subclass pyrrolopyrimidines
Direct Parent pyrrolopyrimidines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • azacyclic compounds
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • lactams
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • pyrimidones
  • pyrroles
  • secondary alkylarylamines
  • vinylogous amides
  • Substituents
  • monocyclic benzene moiety
  • lactam
  • 1-hydroxy-2-unsubstituted benzenoid
  • pyrimidone
  • pyrimidine
  • pyrrolopyrimidine
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • imidolactam
  • vinylogous amide
  • azacycle
  • heteroaromatic compound
  • secondary amine
  • secondary aliphatic/aromatic amine
  • organic oxygen compound
  • pyrrole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound