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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:50 UTC
Update Date2025-03-25 00:51:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02187270
Frequency0.5
Structure
Chemical FormulaC8H8N6O
Molecular Mass204.076
SMILESCC(=O)Nc1cnc2c(N)ncnc2n1
InChI KeyAULWCDCMRMJYQX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpteridines and derivatives
Subclass pteridines and derivatives
Direct Parent pteridines and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetamides
  • amino acids and derivatives
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • n-acetylarylamines
  • organic oxides
  • organopnictogen compounds
  • primary amines
  • pyrazines
  • pyrimidines and pyrimidine derivatives
  • secondary carboxylic acid amides
  • Substituents
  • carbonyl group
  • n-acetylarylamine
  • amino acid or derivatives
  • n-arylamide
  • pteridine
  • carboxylic acid derivative
  • pyrimidine
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • imidolactam
  • acetamide
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • pyrazine
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound