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

Systemtic Name: 7-heptyl-8-[2-[7-heptyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethylsulfanyl]-3-methyl-purine-2,6-dione Openeye Name: 7-heptyl-8-[2-(7-heptyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylethylsulfanyl]-3-methyl-purine-2,6-dione CAS Name: 7-heptyl-8-[2-[(7-heptyl-3-methyl-2,6-dioxo-8-purinyl)thio]ethylthio]-3-methylpurine-2,6-dione IUPAC Name: 7-heptyl-8-[2-(7-heptyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylethylsulfanyl]-3-methylpurine-2,6-dione Traditional Name: 7-heptyl-8-[2-[(7-heptyl-2,6-diketo-3-methyl-purin-8-yl)thio]ethylthio]-3-methyl-xanthine Formula: C28H42N8O4S2 MolecularWeight: 618.81428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(N=C1SCCSC3=NC4=C(N3CCCCCCC)C(=O)NC(=O)N4C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCN1C2=C(N=C1SCCSC3=NC4=C(N3CCCCCCC)C(=O)NC(=O)N4C)N(C(=O)NC2=O)C

InChI

InChI=1S/C28H42N8O4S2/c1-5-7-9-11-13-15-35-19-21(33(3)25(39)31-23(19)37)29-27(35)41-17-18-42-28-30-22-20(24(38)32-26(40)34(22)4)36(28)16-14-12-10-8-6-2/h5-18H2,1-4H3,(H,31,37,39)(H,32,38,40)