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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:19:22 UTC
Update Date2025-03-21 18:36:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00108815
Frequency34.8
Structure
Chemical FormulaC10H8N4OS
Molecular Mass232.0419
SMILESNc1nc(=O)c2c([nH]1)Nc1ccccc1S2
InChI KeyLOQLSWXQEZQNCE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classthioethers
Subclass aryl thioethers
Direct Parent diarylthioethers
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,4-thiazines
  • azacyclic compounds
  • benzenoids
  • benzothiazines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • pyrimidones
  • secondary amines
  • vinylogous amides
    • Substituents
  • vinylogous amide
  • para-thiazine
  • azacycle
  • heteroaromatic compound
  • benzothiazine
  • pyrimidone
  • secondary amine
  • pyrimidine
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • amine
  • organoheterocyclic compound
  • organooxygen compound
  • diarylthioether