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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:40 UTC
Update Date2025-03-25 00:54:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02205079
Frequency0.5
Structure
Chemical FormulaC14H11N3O4S
Molecular Mass317.047
SMILESO=S(=O)(O)Oc1ccc(Nc2ncnc3ccccc23)cc1
InChI KeyNUCXLQHOJHQOTM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazanaphthalenes
Subclass benzodiazines
Direct Parent quinazolinamines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • diazanaphthalenes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • phenylsulfates
  • pyrimidines and pyrimidine derivatives
  • secondary amines
  • sulfuric acid monoesters
    • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • pyrimidine
  • phenylsulfate
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • arylsulfate
  • imidolactam
  • organic sulfuric acid or derivatives
  • azacycle
  • heteroaromatic compound
  • secondary amine
  • organic oxygen compound
  • quinazolinamine
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound
  • amine