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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:04 UTC
Update Date2025-03-25 00:45:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02148932
Frequency0.5
Structure
Chemical FormulaC10H15N5O3S
Molecular Mass285.0896
SMILESCS(=O)(=O)CCNCc1c[nH]c2[nH]c(=N)[nH]c(=O)c12
InChI KeyOKGULVLSPGJIQM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolopyrimidines
Subclass pyrrolo[2,3-d]pyrimidines
Direct Parent pyrrolo[2,3-d]pyrimidines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • pyrimidones
  • pyrroles
  • sulfones
  • vinylogous amides
  • Substituents
  • lactam
  • pyrimidone
  • organosulfur compound
  • pyrimidine
  • organic oxide
  • pyrrolo[2,3-d]pyrimidine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • vinylogous amide
  • secondary aliphatic amine
  • azacycle
  • heteroaromatic compound
  • secondary amine
  • sulfonyl
  • organic oxygen compound
  • pyrrole
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine
  • sulfone