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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:24 UTC
Update Date2025-03-25 00:47:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02158899
Frequency0.5
Structure
Chemical FormulaC10H14N6
Molecular Mass218.128
SMILESc1nc(NCC2CCNC2)c2[nH]cnc2n1
InChI KeyBHTZELCMKWLDGX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classimidazopyrimidines
Subclass purines and purine derivatives
Direct Parent purines and purine derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • imidolactams
  • organopnictogen compounds
  • pyrimidines and pyrimidine derivatives
  • pyrrolidines
  • secondary alkylarylamines
  • Substituents
  • secondary aliphatic amine
  • azacycle
  • heteroaromatic compound
  • secondary amine
  • secondary aliphatic/aromatic amine
  • pyrimidine
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • purine
  • organic nitrogen compound
  • pyrrolidine
  • imidolactam
  • amine
  • azole