3-methyl-8-[4-[3-methyl-2,6-bis(oxidanylidene)-7-phenethyl-purin-8-yl]sulfanylbutylsulfanyl]-7-phenethyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-[4-[3-methyl-2,6-bis(oxidanylidene)-7-phenethyl-purin-8-yl]sulfanylbutylsulfanyl]-7-phenethyl-purine-2,6-dione Openeye Name: 3-methyl-8-[4-(3-methyl-2,6-dioxo-7-phenethyl-purin-8-yl)sulfanylbutylsulfanyl]-7-phenethyl-purine-2,6-dione CAS Name: 3-methyl-8-[4-[(3-methyl-2,6-dioxo-7-phenethyl-8-purinyl)thio]butylthio]-7-phenethylpurine-2,6-dione IUPAC Name: 3-methyl-8-[4-(3-methyl-2,6-dioxo-7-phenethylpurin-8-yl)sulfanylbutylsulfanyl]-7-phenethylpurine-2,6-dione Traditional Name: 8-[4-[(2,6-diketo-3-methyl-7-phenethyl-purin-8-yl)thio]butylthio]-3-methyl-7-phenethyl-xanthine Formula: C32H34N8O4S2 MolecularWeight: 658.79356

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCCCSC3=NC4=C(N3CCC5=CC=CC=C5)C(=O)NC(=O)N4C)CCC6=CC=CC=C6

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCCCSC3=NC4=C(N3CCC5=CC=CC=C5)C(=O)NC(=O)N4C)CCC6=CC=CC=C6

InChI

InChI=1S/C32H34N8O4S2/c1-37-25-23(27(41)35-29(37)43)39(17-15-21-11-5-3-6-12-21)31(33-25)45-19-9-10-20-46-32-34-26-24(28(42)36-30(44)38(26)2)40(32)18-16-22-13-7-4-8-14-22/h3-8,11-14H,9-10,15-20H2,1-2H3,(H,35,41,43)(H,36,42,44)