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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:33 UTC
Update Date2025-03-25 00:47:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163702
Frequency0.5
Structure
Chemical FormulaC13H16N4
Molecular Mass228.1375
SMILESCC1(C)CN(C(=N)N)Cc2cc(C#N)ccc21
InChI KeyNCNJBQCINCMSDF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrahydroisoquinolines
Subclass tetrahydroisoquinolines
Direct Parent tetrahydroisoquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • carboximidamides
  • guanidines
  • hydrocarbon derivatives
  • imines
  • nitriles
  • organopnictogen compounds
    • Substituents
  • nitrile
  • azacycle
  • guanidine
  • imine
  • carboximidamide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • tetrahydroisoquinoline
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • carbonitrile