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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:46:56 UTC
Update Date2025-03-21 18:01:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00031184
Frequency118.5
Structure
Chemical FormulaC9H12N6O2
Molecular Mass236.1022
SMILESCC(=O)NCC1=Nc2c([nH]c(N)nc2=O)NC1
InChI KeyQROXCCIVHCLRDE-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
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • ketimines
  • organic oxides
  • organopnictogen compounds
  • primary amines
  • propargyl-type 1,3-dipolar organic compounds
  • pyrimidones
  • secondary alkylarylamines
  • secondary carboxylic acid amides
  • vinylogous amides
    • Substituents
  • ketimine
  • carbonyl group
  • amino acid or derivatives
  • imine
  • pyrimidone
  • carboxylic acid derivative
  • pyrimidine
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • acetamide
  • vinylogous amide
  • pterin
  • azacycle
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • secondary amine
  • carboxamide group
  • secondary aliphatic/aromatic amine
  • secondary carboxylic acid amide
  • organic oxygen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound