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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:21:52 UTC
Update Date2025-03-21 18:37:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00114890
Frequency23.0
Structure
Chemical FormulaC14H15N5O3S
Molecular Mass333.0896
SMILESCOc1ccnc(CS(=O)c2nc3c(N)nccc3[nH]2)c1OC
InChI KeyJCXXPYSBBSPXOS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classimidazopyridines
Subclass imidazopyridines
Direct Parent imidazopyridines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • alkyl aryl ethers
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • imidolactams
  • methylpyridines
  • organic oxides
  • organopnictogen compounds
  • polyhalopyridines
  • primary amines
  • sulfinyl compounds
  • sulfoxides
    • Substituents
  • ether
  • polyhalopyridine
  • imidazopyridine
  • alkyl aryl ether
  • organosulfur compound
  • organic oxide
  • sulfinyl compound
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • imidolactam
  • azole
  • azacycle
  • heteroaromatic compound
  • methylpyridine
  • pyridine
  • organic oxygen compound
  • sulfoxide
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound