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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:11 UTC
Update Date2025-03-25 00:50:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183447
Frequency0.5
Structure
Chemical FormulaC6H5N5O2S
Molecular Mass211.0164
SMILESO=C(O)CSc1ncnc2ncnn12
InChI KeyNBEFUPIUGSIYHD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtriazines
Subclass 1,3,5-triazines
Direct Parent alkyl-2-thio-s-triazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkylarylthioethers
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • halo-s-triazines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • sulfenyl compounds
  • triazoles
    • Substituents
  • triazole
  • carbonyl group
  • carboxylic acid
  • alkylarylthioether
  • organosulfur compound
  • carboxylic acid derivative
  • aryl thioether
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • azole
  • sulfenyl compound
  • 1,2,4-triazole
  • azacycle
  • heteroaromatic compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • thioether
  • halo-s-triazine
  • hydrocarbon derivative
  • organic nitrogen compound
  • alkyl-2-thio-s-triazine
  • organooxygen compound