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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:50 UTC
Update Date2025-03-25 00:48:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02166690
Frequency0.5
Structure
Chemical FormulaC6H7IN4O
Molecular Mass277.9665
SMILESCC(=O)Nc1c(N)ncnc1I
InChI KeyIFXQVYHRRSBSRJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass n-arylamides
Direct Parent n-acetylarylamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • amino acids and derivatives
  • aryl iodides
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • halopyrimidines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organic oxides
  • organoiodides
  • organopnictogen compounds
  • primary amines
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • n-acetylarylamine
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • carboxylic acid derivative
  • organohalogen compound
  • organoiodide
  • pyrimidine
  • organic oxide
  • organopnictogen compound
  • imidolactam
  • organoheterocyclic compound
  • acetamide
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • halopyrimidine
  • aryl halide
  • secondary carboxylic acid amide
  • organic oxygen compound
  • hydrocarbon derivative
  • aryl iodide
  • primary amine
  • amine
  • organooxygen compound