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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:03 UTC
Update Date2025-03-25 00:47:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02160287
Frequency0.5
Structure
Chemical FormulaC13H12Cl2N6O2
Molecular Mass354.0399
SMILESNc1nc(=O)c2c([nH]1)NCC(CNc1cc(Cl)c(O)c(Cl)c1)=N2
InChI KeyLOEYVUSDLJQWAJ-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
  • aryl chlorides
  • azacyclic compounds
  • dichlorobenzenes
  • halophenols
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • ketimines
  • o-chlorophenols
  • organic oxides
  • organochlorides
  • organooxygen compounds
  • organopnictogen compounds
  • phenylalkylamines
  • primary amines
  • propargyl-type 1,3-dipolar organic compounds
  • pyrimidones
  • secondary alkylarylamines
  • vinylogous amides
    • Substituents
  • ketimine
  • monocyclic benzene moiety
  • imine
  • organochloride
  • pyrimidone
  • organohalogen compound
  • pyrimidine
  • 1,3-dichlorobenzene
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • aryl chloride
  • 2-chlorophenol
  • chlorobenzene
  • vinylogous amide
  • pterin
  • azacycle
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • secondary amine
  • secondary aliphatic/aromatic amine
  • aryl halide
  • 2-halophenol
  • organic oxygen compound
  • phenylalkylamine
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • halobenzene
  • amine
  • organooxygen compound