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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:30:34 UTC
Update Date2025-03-21 18:41:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00135332
Frequency18.6
Structure
Chemical FormulaC18H21N3OS
Molecular Mass327.1405
SMILESCOc1c(C)cnc(CSc2nc3cc(C)c(C)cc3[nH]2)c1C
InChI KeyWMJSGBUQPULHDC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzimidazoles
Subclass benzimidazoles
Direct Parent benzimidazoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • alkyl aryl ethers
  • alkylarylthioethers
  • azacyclic compounds
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • methylpyridines
  • organonitrogen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • sulfenyl compounds
    • Substituents
  • ether
  • polyhalopyridine
  • alkyl aryl ether
  • alkylarylthioether
  • organosulfur compound
  • aryl thioether
  • aromatic heteropolycyclic compound
  • benzimidazole
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • azole
  • sulfenyl compound
  • azacycle
  • heteroaromatic compound
  • methylpyridine
  • pyridine
  • organic oxygen compound
  • thioether
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound