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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:12 UTC
Update Date2025-03-25 00:56:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02220349
Frequency0.5
Structure
Chemical FormulaC14H23N7S
Molecular Mass321.1736
SMILESCSCCNc1nc(N2CCN(C)CC2)nc2c1ncn2C
InChI KeyVYEZRLKEVFSLED-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazinanes
Subclass piperazines
Direct Parent n-arylpiperazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aminopyrimidines and derivatives
  • azacyclic compounds
  • dialkylarylamines
  • dialkylthioethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • imidolactams
  • n-methylpiperazines
  • n-substituted imidazoles
  • organopnictogen compounds
  • purines and purine derivatives
  • secondary alkylarylamines
  • sulfenyl compounds
  • trialkylamines
    • Substituents
  • imidazopyrimidine
  • organosulfur compound
  • pyrimidine
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • dialkylarylamine
  • imidolactam
  • tertiary amine
  • azole
  • n-substituted imidazole
  • sulfenyl compound
  • azacycle
  • dialkylthioether
  • n-alkylpiperazine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • n-methylpiperazine
  • secondary amine
  • secondary aliphatic/aromatic amine
  • aminopyrimidine
  • thioether
  • hydrocarbon derivative
  • purine
  • organic nitrogen compound
  • amine
  • n-arylpiperazine