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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:37 UTC
Update Date2025-03-21 18:35:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00106968
Frequency25.2
Structure
Chemical FormulaC12H12N8
Molecular Mass268.1185
SMILESNc1ccc(-c2nc3c(N)nc(N)nc3nc2N)cc1
InChI KeyPHSFPPGVOBQELC-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
  • azacyclic compounds
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organopnictogen compounds
  • primary amines
  • pyrazines
  • pyrimidines and pyrimidine derivatives
  • Substituents
  • monocyclic benzene moiety
  • azacycle
  • heteroaromatic compound
  • pteridine
  • pyrimidine
  • aromatic heteropolycyclic compound
  • pyrazine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • imidolactam
  • amine