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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:05:07 UTC
Update Date2025-03-25 00:55:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02213229
Frequency0.5
Structure
Chemical FormulaC7H11N3O2
Molecular Mass169.0851
SMILESCN1CC2NC(=O)NC(=O)C2C1
InChI KeyPBOOLNVOIODHFF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidones
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • amino acids and derivatives
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • diazinanes
  • dicarboximides
  • hydrocarbon derivatives
  • n-acyl ureas
  • n-alkylpyrrolidines
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • trialkylamines
  • Substituents
  • carbonyl group
  • amino acid or derivatives
  • pyrimidone
  • carboxylic acid derivative
  • aliphatic heteropolycyclic compound
  • 1,3-diazinane
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • dicarboximide
  • pyrrolidine
  • ureide
  • tertiary amine
  • n-acyl urea
  • carbonic acid derivative
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound