8-dodecylsulfanyl-7-heptyl-3-methyl-purine-2,6-dione

Systemtic Name: 8-dodecylsulfanyl-7-heptyl-3-methyl-purine-2,6-dione Openeye Name: 8-dodecylsulfanyl-7-heptyl-3-methyl-purine-2,6-dione CAS Name: 8-(dodecylthio)-7-heptyl-3-methylpurine-2,6-dione IUPAC Name: 8-dodecylsulfanyl-7-heptyl-3-methylpurine-2,6-dione Traditional Name: 7-heptyl-8-(laurylthio)-3-methyl-xanthine Formula: C25H44N4O2S MolecularWeight: 464.70746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=NC2=C(N1CCCCCCC)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCCCCCCSC1=NC2=C(N1CCCCCCC)C(=O)NC(=O)N2C

InChI

InChI=1S/C25H44N4O2S/c1-4-6-8-10-11-12-13-14-16-18-20-32-25-26-22-21(23(30)27-24(31)28(22)3)29(25)19-17-15-9-7-5-2/h4-20H2,1-3H3,(H,27,30,31)