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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:15 UTC
Update Date2025-03-25 00:47:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02160722
Frequency0.5
Structure
Chemical FormulaC9H13N5O
Molecular Mass207.112
SMILESNc1nc2c(c(=O)[nH]1)CN1CCC1CN2
InChI KeyYAJDVXURFJTVNG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrimidodiazepines
Subclass pyrimidodiazepines
Direct Parent pyrimidodiazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aralkylamines
  • azacyclic compounds
  • azetidines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • lactams
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • pyrimidones
  • secondary alkylarylamines
  • trialkylamines
  • vinylogous amides
    • Substituents
  • lactam
  • pyrimidone
  • aralkylamine
  • pyrimidine
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • pyrimidodiazepine
  • imidolactam
  • tertiary amine
  • vinylogous amide
  • azacycle
  • heteroaromatic compound
  • tertiary aliphatic amine
  • secondary amine
  • secondary aliphatic/aromatic amine
  • azetidine
  • organic oxygen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound