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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:02:56 UTC
Update Date2025-03-21 18:07:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00069176
Frequency43.7
Structure
Chemical FormulaC14H14Cl2N6O
Molecular Mass352.0606
SMILESNc1nc2c(c(=O)[nH]1)N1CN(c3ccc(Cl)c(Cl)c3)CC1CN2
InChI KeyWZTGOVOFWQJATC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpteridines and derivatives
Subclass pterins and derivatives
Direct Parent pterins and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aniline and substituted anilines
  • aryl chlorides
  • azacyclic compounds
  • dialkylarylamines
  • dichlorobenzenes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazopyrazines
  • imidolactams
  • lactams
  • organic oxides
  • organochlorides
  • organooxygen compounds
  • organopnictogen compounds
  • phenylimidazolidines
  • primary amines
  • pyrimidones
  • secondary alkylarylamines
  • vinylogous amides
  • Substituents
  • imidazolidine
  • monocyclic benzene moiety
  • lactam
  • phenylimidazolidine
  • imidazopyrazine
  • organochloride
  • pyrimidone
  • organohalogen compound
  • pyrimidine
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 1,2-dichlorobenzene
  • dialkylarylamine
  • imidolactam
  • aryl chloride
  • chlorobenzene
  • vinylogous amide
  • pterin
  • azacycle
  • aniline or substituted anilines
  • heteroaromatic compound
  • secondary amine
  • secondary aliphatic/aromatic amine
  • aryl halide
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • halobenzene
  • amine
  • organooxygen compound