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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:22:25 UTC
Update Date2025-03-21 18:37:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00116201
Frequency22.6
Structure
Chemical FormulaC7H8N4
Molecular Mass148.0749
SMILESCn1ccc2ncnc(N)c21
InChI KeyCIKMEWMNJULNFB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolopyrimidines
Subclass pyrrolopyrimidines
Direct Parent pyrrolopyrimidines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • n-methylpyrroles
  • organopnictogen compounds
  • primary amines
  • pyrimidines and pyrimidine derivatives
  • substituted pyrroles
    • Substituents
  • n-methylpyrrole
  • azacycle
  • heteroaromatic compound
  • substituted pyrrole
  • pyrimidine
  • pyrrolopyrimidine
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • imidolactam
  • amine