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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:11 UTC
Update Date2025-03-25 00:51:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02188041
Frequency0.5
Structure
Chemical FormulaC9H13N5O3
Molecular Mass239.1018
SMILESCC(=O)Nc1c(N(C)C)nc(=O)[nH]c1NC=O
InChI KeyMRRBQBORFKYGKQ-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
  • aminopyrimidines and derivatives
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkylarylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • pyrimidones
  • secondary carboxylic acid amides
  • Substituents
  • carbonyl group
  • n-acetylarylamine
  • aromatic heteromonocyclic compound
  • pyrimidone
  • carboxylic acid derivative
  • pyrimidine
  • organic oxide
  • organopnictogen compound
  • dialkylarylamine
  • imidolactam
  • organoheterocyclic compound
  • acetamide
  • carbonic acid derivative
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • aminopyrimidine
  • secondary carboxylic acid amide
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound