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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:30:12 UTC
Update Date2025-03-21 18:41:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00134519
Frequency18.7
Structure
Chemical FormulaC11H16N6O2
Molecular Mass264.1335
SMILESCC(=O)N1CCN2c3c(nc(N)[nH]c3=O)NCC2C1
InChI KeyLLBHNAPXQDCWBE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpteridines and derivatives
Subclass pterins and derivatives
Direct Parent pterins and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetamides
  • amino acids and derivatives
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkylarylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • lactams
  • organic oxides
  • organopnictogen compounds
  • piperazines
  • primary amines
  • pyrimidones
  • secondary alkylarylamines
  • tertiary carboxylic acid amides
  • vinylogous amides
  • Substituents
  • carbonyl group
  • lactam
  • amino acid or derivatives
  • pyrimidone
  • carboxylic acid derivative
  • pyrimidine
  • organic oxide
  • piperazine
  • aromatic heteropolycyclic compound
  • tertiary aliphatic/aromatic amine
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • dialkylarylamine
  • imidolactam
  • tertiary amine
  • acetamide
  • vinylogous amide
  • pterin
  • azacycle
  • heteroaromatic compound
  • secondary amine
  • carboxamide group
  • secondary aliphatic/aromatic amine
  • organic oxygen compound
  • 1,4-diazinane
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound