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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:01 UTC
Update Date2025-03-25 00:50:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183096
Frequency0.5
Structure
Chemical FormulaC10H11N3O2S
Molecular Mass237.0572
SMILESO=S1(=O)NC2=NCCCN2c2ccccc21
InChI KeyLPKBOJIWOWGNPY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiadiazines
Subclass benzothiadiazines
Direct Parent 1,2,4-benzothiadiazine-1,1-dioxides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • guanidines
  • hydrocarbon derivatives
  • hydropyrimidines
  • organic oxides
  • organopnictogen compounds
  • organosulfonic acids and derivatives
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • 1,4,5,6-tetrahydropyrimidine
  • organosulfonic acid or derivatives
  • azacycle
  • guanidine
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organic sulfonic acid or derivatives
  • organonitrogen compound
  • hydropyrimidine
  • organopnictogen compound
  • 1,2,4-benzothiadiazine-1,1-dioxide
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound