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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:16:48 UTC
Update Date2025-03-25 00:59:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02239641
Frequency0.5
Structure
Chemical FormulaC9H14N6O2
Molecular Mass238.1178
SMILESNCC(O)C1=Nc2c([nH]c(N)nc2=O)NCC1
InChI KeyWZNJRRGRONDGCI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrimidodiazepines
Subclass pyrimidodiazepines
Direct Parent pyrimidodiazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,4-diazepines
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • ketimines
  • monoalkylamines
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrimidones
  • secondary alcohols
  • secondary alkylarylamines
  • vinylogous amides
    • Substituents
  • ketimine
  • imine
  • pyrimidone
  • pyrimidine
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • pyrimidodiazepine
  • alcohol
  • vinylogous amide
  • azacycle
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • secondary amine
  • secondary aliphatic/aromatic amine
  • para-diazepine
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • primary aliphatic amine
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound