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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:03 UTC
Update Date2025-03-25 01:01:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02251820
Frequency0.5
Structure
Chemical FormulaC11H11N3O2S
Molecular Mass249.0572
SMILESO=c1[nH]c(=S)[nH]cc1CNc1ccc(O)cc1
InChI KeyRAUPHIYRRJKZSF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent phenylalkylamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 2-thiopyrimidines
  • azacyclic compounds
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • pyrimidinethiones
  • pyrimidones
  • secondary alkylarylamines
  • thioureas
  • vinylogous amides
    • Substituents
  • monocyclic benzene moiety
  • thiourea
  • lactam
  • pyrimidinethione
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • pyrimidone
  • organosulfur compound
  • pyrimidine
  • organic oxide
  • organopnictogen compound
  • 2-thiopyrimidine
  • organoheterocyclic compound
  • vinylogous amide
  • azacycle
  • heteroaromatic compound
  • secondary amine
  • secondary aliphatic/aromatic amine
  • organic oxygen compound
  • phenylalkylamine
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • thiopyrimidine