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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:10 UTC
Update Date2025-03-25 00:56:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02220270
Frequency0.5
Structure
Chemical FormulaC9H11N3O2S
Molecular Mass225.0572
SMILESCS(=O)(=O)NC1=Nc2ccccc2CN1
InChI KeyXGUNMKMFMMUCGA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazanaphthalenes
Subclass benzodiazines
Direct Parent quinazolinamines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aminosulfonyl compounds
  • azacyclic compounds
  • benzenoids
  • diazanaphthalenes
  • guanidines
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • organosulfonic acids and derivatives
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • organosulfonic acid or derivatives
  • azacycle
  • aminosulfonyl compound
  • guanidine
  • organic 1,3-dipolar compound
  • organosulfur compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organic sulfonic acid or derivatives
  • organonitrogen compound
  • quinazolinamine
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound