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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:32 UTC
Update Date2025-03-25 00:57:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02223403
Frequency0.5
Structure
Chemical FormulaC11H10N6O
Molecular Mass242.0916
SMILESNC1=Nc2[nH]c(N)nc(=O)c2Nc2ccccc21
InChI KeyDILOZUWLTPGWIJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrimidodiazepines
Subclass pyrimidodiazepines
Direct Parent pyrimidodiazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,4-benzodiazepines
  • amidines
  • azacyclic compounds
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • propargyl-type 1,3-dipolar organic compounds
  • pyrimidones
  • secondary amines
  • vinylogous amides
    • Substituents
  • pyrimidone
  • amidine
  • pyrimidine
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • pyrimidodiazepine
  • imidolactam
  • vinylogous amide
  • azacycle
  • benzodiazepine
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • secondary amine
  • 1,4-benzodiazepine
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound