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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:59 UTC
Update Date2025-03-25 00:46:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155805
Frequency0.5
Structure
Chemical FormulaC13H15F3N4S2
Molecular Mass348.069
SMILESCSCCNc1nc(SCCC(F)(F)F)nc2ncccc12
InChI KeyXJAWCJBACHDWOI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridopyrimidines
Subclass pyrido[2,3-d]pyrimidines
Direct Parent pyrido[2,3-d]pyrimidines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • alkyl fluorides
  • alkylarylthioethers
  • azacyclic compounds
  • dialkylthioethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • methylpyridines
  • organofluorides
  • organopnictogen compounds
  • polyhalopyridines
  • pyrimidines and pyrimidine derivatives
  • secondary alkylarylamines
  • sulfenyl compounds
    • Substituents
  • polyhalopyridine
  • alkylarylthioether
  • organosulfur compound
  • organohalogen compound
  • aryl thioether
  • pyrimidine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • 2-halopyridine
  • imidolactam
  • sulfenyl compound
  • azacycle
  • alkyl fluoride
  • organofluoride
  • dialkylthioether
  • heteroaromatic compound
  • methylpyridine
  • secondary amine
  • secondary aliphatic/aromatic amine
  • pyridine
  • pyrido[2,3-d]pyrimidine
  • thioether
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine