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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:04 UTC
Update Date2025-03-25 00:49:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02176350
Frequency0.5
Structure
Chemical FormulaC10H16N6O3
Molecular Mass268.1284
SMILESCC(O)C(N)C1CNc2[nH]c(N)nc(=O)c2NC1=O
InChI KeyYELZUBBRBUZXSU-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
  • beta amino acids and derivatives
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • monoalkylamines
  • organic oxides
  • organopnictogen compounds
  • pyrimidones
  • secondary alcohols
  • secondary alkylarylamines
  • secondary carboxylic acid amides
  • vinylogous amides
    • Substituents
  • carbonyl group
  • lactam
  • amino acid or derivatives
  • pyrimidone
  • carboxylic acid derivative
  • pyrimidine
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • pyrimidodiazepine
  • alcohol
  • vinylogous amide
  • azacycle
  • heteroaromatic compound
  • secondary amine
  • carboxamide group
  • beta amino acid or derivatives
  • secondary aliphatic/aromatic amine
  • secondary carboxylic acid amide
  • para-diazepine
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • primary aliphatic amine
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound