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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:05 UTC
Update Date2025-03-25 00:47:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02160376
Frequency0.5
Structure
Chemical FormulaC15H13N3O2S
Molecular Mass299.0728
SMILESNS(=O)(=O)c1ccc2ccnc(Nc3ccccc3)c2c1
InChI KeyXSMOMFUYDIJUNR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classisoquinolines and derivatives
Subclass isoquinolines and derivatives
Direct Parent isoquinolines and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • aminosulfonyl compounds
  • azacyclic compounds
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organic oxides
  • organopnictogen compounds
  • organosulfonamides
  • polyhalopyridines
  • pyridines and derivatives
  • secondary amines
    • Substituents
  • organosulfonic acid or derivatives
  • monocyclic benzene moiety
  • polyhalopyridine
  • organosulfur compound
  • organosulfonic acid amide
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • imidolactam
  • azacycle
  • aminosulfonyl compound
  • heteroaromatic compound
  • secondary amine
  • sulfonyl
  • pyridine
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • isoquinoline
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine