7-ethyl-8-heptylsulfanyl-3-methyl-purine-2,6-dione

Systemtic Name: 7-ethyl-8-heptylsulfanyl-3-methyl-purine-2,6-dione Openeye Name: 7-ethyl-8-heptylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 7-ethyl-8-(heptylthio)-3-methylpurine-2,6-dione IUPAC Name: 7-ethyl-8-heptylsulfanyl-3-methylpurine-2,6-dione Traditional Name: 7-ethyl-8-(heptylthio)-3-methyl-xanthine Formula: C15H24N4O2S MolecularWeight: 324.44166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC2=C(N1CC)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCSC1=NC2=C(N1CC)C(=O)NC(=O)N2C

InChI

InChI=1S/C15H24N4O2S/c1-4-6-7-8-9-10-22-15-16-12-11(19(15)5-2)13(20)17-14(21)18(12)3/h4-10H2,1-3H3,(H,17,20,21)