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

Systemtic Name: 8-dodecylsulfanyl-7-ethyl-3-methyl-purine-2,6-dione Openeye Name: 8-dodecylsulfanyl-7-ethyl-3-methyl-purine-2,6-dione CAS Name: 8-(dodecylthio)-7-ethyl-3-methylpurine-2,6-dione IUPAC Name: 8-dodecylsulfanyl-7-ethyl-3-methylpurine-2,6-dione Traditional Name: 7-ethyl-8-(laurylthio)-3-methyl-xanthine Formula: C20H34N4O2S MolecularWeight: 394.57456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=NC2=C(N1CC)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCCCCCCSC1=NC2=C(N1CC)C(=O)NC(=O)N2C

InChI

InChI=1S/C20H34N4O2S/c1-4-6-7-8-9-10-11-12-13-14-15-27-20-21-17-16(24(20)5-2)18(25)22-19(26)23(17)3/h4-15H2,1-3H3,(H,22,25,26)