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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:54 UTC
Update Date2025-03-25 00:46:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155623
Frequency0.5
Structure
Chemical FormulaC18H17N3O2S
Molecular Mass339.1041
SMILESCc1cccc(C)c1NC(=O)CSc1nc2ccccc2c(=O)[nH]1
InChI KeyFFNHWGIAKPSZGE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazanaphthalenes
Subclass benzodiazines
Direct Parent quinazolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkylarylthioethers
  • anilides
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • diazanaphthalenes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • n-arylamides
  • organic oxides
  • organopnictogen compounds
  • pyrimidones
  • secondary carboxylic acid amides
  • sulfenyl compounds
  • m-xylenes
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • lactam
  • pyrimidone
  • n-arylamide
  • alkylarylthioether
  • organosulfur compound
  • carboxylic acid derivative
  • aryl thioether
  • pyrimidine
  • xylene
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • sulfenyl compound
  • azacycle
  • heteroaromatic compound
  • m-xylene
  • carboxamide group
  • anilide
  • secondary carboxylic acid amide
  • organic oxygen compound
  • thioether
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • quinazoline
  • organooxygen compound