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

Systemtic Name: 3-methyl-8-[2-[3-methyl-2,6-bis(oxidanylidene)-7-phenethyl-purin-8-yl]sulfanylethylsulfanyl]-7-phenethyl-purine-2,6-dione Openeye Name: 3-methyl-8-[2-(3-methyl-2,6-dioxo-7-phenethyl-purin-8-yl)sulfanylethylsulfanyl]-7-phenethyl-purine-2,6-dione CAS Name: 3-methyl-8-[2-[(3-methyl-2,6-dioxo-7-phenethyl-8-purinyl)thio]ethylthio]-7-phenethylpurine-2,6-dione IUPAC Name: 3-methyl-8-[2-(3-methyl-2,6-dioxo-7-phenethylpurin-8-yl)sulfanylethylsulfanyl]-7-phenethylpurine-2,6-dione Traditional Name: 8-[2-[(2,6-diketo-3-methyl-7-phenethyl-purin-8-yl)thio]ethylthio]-3-methyl-7-phenethyl-xanthine Formula: C30H30N8O4S2 MolecularWeight: 630.7404

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCSC3=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)SCCSC3=NC4=C(N3CCC5=CC=CC=C5)C(=O)NC(=O)N4C)CCC6=CC=CC=C6

InChI

InChI=1S/C30H30N8O4S2/c1-35-23-21(25(39)33-27(35)41)37(15-13-19-9-5-3-6-10-19)29(31-23)43-17-18-44-30-32-24-22(26(40)34-28(42)36(24)2)38(30)16-14-20-11-7-4-8-12-20/h3-12H,13-18H2,1-2H3,(H,33,39,41)(H,34,40,42)