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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:52:30 UTC
Update Date2025-03-21 18:03:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00044559
Frequency75.9
Structure
Chemical FormulaC11H10N8
Molecular Mass254.1028
SMILESNc1nc(N)c2nc(-c3ccccn3)c(N)nc2n1
InChI KeyLMQDQSRSPMRONG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpteridines and derivatives
Subclass pteridines and derivatives
Direct Parent pteridines and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organopnictogen compounds
  • primary amines
  • pyrazines
  • pyridines and derivatives
  • pyrimidines and pyrimidine derivatives
  • Substituents
  • azacycle
  • heteroaromatic compound
  • pteridine
  • pyrimidine
  • pyridine
  • aromatic heteropolycyclic compound
  • pyrazine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • 2-halopyridine
  • organic nitrogen compound
  • imidolactam
  • amine