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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:36 UTC
Update Date2025-03-21 18:35:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00106946
Frequency25.2
Structure
Chemical FormulaC9H14N2OS
Molecular Mass198.0827
SMILESCSCc1cnc(C)c(O)c1CN
InChI KeyHVEICIWLYSSSDN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass halopyridines
Direct Parent polyhalopyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • dialkylthioethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • methylpyridines
  • monoalkylamines
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • sulfenyl compounds
    • Substituents
  • sulfenyl compound
  • aromatic heteromonocyclic compound
  • azacycle
  • polyhalopyridine
  • dialkylthioether
  • heteroaromatic compound
  • hydroxypyridine
  • methylpyridine
  • organosulfur compound
  • organic oxygen compound
  • thioether
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • 2-halopyridine
  • organic nitrogen compound
  • organooxygen compound