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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:17 UTC
Update Date2025-03-25 01:01:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02250043
Frequency0.5
Structure
Chemical FormulaC8H8N4OS
Molecular Mass208.0419
SMILESCSc1ccnc2nc(N)[nH]c(=O)c12
InChI KeyLTEBOSXSLFYXLH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridopyrimidines
Subclass pyrido[2,3-d]pyrimidines
Direct Parent pyrido[2,3-d]pyrimidines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • alkylarylthioethers
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • methylpyridines
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • primary amines
  • pyrimidones
  • sulfenyl compounds
  • vinylogous thioesters
    • Substituents
  • lactam
  • polyhalopyridine
  • pyrimidone
  • alkylarylthioether
  • organosulfur compound
  • aryl thioether
  • pyrimidine
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • vinylogous thioester
  • sulfenyl compound
  • azacycle
  • heteroaromatic compound
  • methylpyridine
  • pyridine
  • organic oxygen compound
  • pyrido[2,3-d]pyrimidine
  • thioether
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound