8-[1,3-dimethyl-7-octyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-1,3-dimethyl-7-octyl-purine-2,6-dione

Systemtic Name: 8-[1,3-dimethyl-7-octyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-1,3-dimethyl-7-octyl-purine-2,6-dione Openeye Name: 8-(1,3-dimethyl-7-octyl-2,6-dioxo-purin-8-yl)sulfanyl-1,3-dimethyl-7-octyl-purine-2,6-dione CAS Name: 8-[(1,3-dimethyl-7-octyl-2,6-dioxo-8-purinyl)thio]-1,3-dimethyl-7-octylpurine-2,6-dione IUPAC Name: 8-(1,3-dimethyl-7-octyl-2,6-dioxopurin-8-yl)sulfanyl-1,3-dimethyl-7-octylpurine-2,6-dione Traditional Name: 8-[(2,6-diketo-1,3-dimethyl-7-octyl-purin-8-yl)thio]-1,3-dimethyl-7-octyl-xanthine Formula: C30H46N8O4S MolecularWeight: 614.80244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1SC3=NC4=C(N3CCCCCCCC)C(=O)N(C(=O)N4C)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1SC3=NC4=C(N3CCCCCCCC)C(=O)N(C(=O)N4C)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C30H46N8O4S/c1-7-9-11-13-15-17-19-37-21-23(33(3)29(41)35(5)25(21)39)31-27(37)43-28-32-24-22(26(40)36(6)30(42)34(24)4)38(28)20-18-16-14-12-10-8-2/h7-20H2,1-6H3