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

Systemtic Name: 3-methyl-8-[3-methyl-7-octyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-7-octyl-purine-2,6-dione Openeye Name: 3-methyl-8-(3-methyl-7-octyl-2,6-dioxo-purin-8-yl)sulfanyl-7-octyl-purine-2,6-dione CAS Name: 3-methyl-8-[(3-methyl-7-octyl-2,6-dioxo-8-purinyl)thio]-7-octylpurine-2,6-dione IUPAC Name: 3-methyl-8-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanyl-7-octylpurine-2,6-dione Traditional Name: 8-[(2,6-diketo-3-methyl-7-octyl-purin-8-yl)thio]-3-methyl-7-octyl-xanthine Formula: C28H42N8O4S MolecularWeight: 586.74928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1SC3=NC4=C(N3CCCCCCCC)C(=O)NC(=O)N4C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1SC3=NC4=C(N3CCCCCCCC)C(=O)NC(=O)N4C)N(C(=O)NC2=O)C

InChI

InChI=1S/C28H42N8O4S/c1-5-7-9-11-13-15-17-35-19-21(33(3)25(39)31-23(19)37)29-27(35)41-28-30-22-20(24(38)32-26(40)34(22)4)36(28)18-16-14-12-10-8-6-2/h5-18H2,1-4H3,(H,31,37,39)(H,32,38,40)