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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:29 UTC
Update Date2025-03-25 00:53:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02202352
Frequency0.5
Structure
Chemical FormulaC11H16F3N5OS2
Molecular Mass355.0748
SMILESCSCCNc1nc(NC(C)=O)nc(SCCC(F)(F)F)n1
InChI KeyPJJQSSXDHYETJP-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
  • alkyl fluorides
  • alkyl-2-thio-s-triazines
  • alkylarylthioethers
  • amino acids and derivatives
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkylthioethers
  • halo-s-triazines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • n-aliphatic s-triazines
  • organic oxides
  • organofluorides
  • organopnictogen compounds
  • secondary alkylarylamines
  • secondary carboxylic acid amides
  • sulfenyl compounds
    • Substituents
  • n-aliphatic s-triazine
  • carbonyl group
  • amino-1,3,5-triazine
  • n-acetylarylamine
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • alkylarylthioether
  • organosulfur compound
  • carboxylic acid derivative
  • organohalogen compound
  • aryl thioether
  • organic oxide
  • organopnictogen compound
  • alkyl halide
  • organoheterocyclic compound
  • acetamide
  • sulfenyl compound
  • azacycle
  • alkyl fluoride
  • organofluoride
  • dialkylthioether
  • aminotriazine
  • heteroaromatic compound
  • secondary amine
  • carboxamide group
  • secondary aliphatic/aromatic amine
  • secondary carboxylic acid amide
  • organic oxygen compound
  • thioether
  • halo-s-triazine
  • triazine
  • hydrocarbon derivative
  • 1,3,5-triazine
  • alkyl-2-thio-s-triazine
  • organooxygen compound
  • amine