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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:27:21 UTC
Update Date2025-03-21 18:39:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00127882
Frequency20.0
Structure
Chemical FormulaC7H10N4O2S
Molecular Mass214.0524
SMILESCC(=O)Nc1c(N)n(C)c(=S)[nH]c1=O
InChI KeyDSARSCKWXCANEJ-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
  • 2-thiopyrimidines
  • acetamides
  • amino acids and derivatives
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organopnictogen compounds
  • primary amines
  • pyrimidinethiones
  • pyrimidones
  • secondary carboxylic acid amides
  • thioureas
  • vinylogous amides
  • Substituents
  • carbonyl group
  • thiourea
  • lactam
  • pyrimidinethione
  • n-acetylarylamine
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • pyrimidone
  • organosulfur compound
  • carboxylic acid derivative
  • pyrimidine
  • organic oxide
  • organopnictogen compound
  • 2-thiopyrimidine
  • organoheterocyclic compound
  • acetamide
  • vinylogous amide
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • hydrocarbon derivative
  • primary amine
  • amine
  • organooxygen compound
  • thiopyrimidine