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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:39 UTC
Update Date2025-03-25 00:57:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02223691
Frequency0.5
Structure
Chemical FormulaC10H11ClN4S
Molecular Mass254.0393
SMILESN=C(NC1=NCCS1)Nc1ccc(Cl)cc1
InChI KeyRDBIWUXYNLQTCM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass halobenzenes
Direct Parent chlorobenzenes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aryl chlorides
  • azacyclic compounds
  • carboximidamides
  • guanidines
  • hydrocarbon derivatives
  • imines
  • isothioureas
  • organochlorides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • thiazolines
    • Substituents
  • aryl chloride
  • chlorobenzene
  • meta-thiazoline
  • aromatic heteromonocyclic compound
  • azacycle
  • guanidine
  • imine
  • organochloride
  • organic 1,3-dipolar compound
  • carboximidamide
  • organohalogen compound
  • aryl halide
  • propargyl-type 1,3-dipolar organic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound
  • isothiourea