8-[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexyl]sulfanyl-7-ethyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexyl]sulfanyl-7-ethyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(4,4-dimethyl-2,6-dioxo-cyclohexyl)sulfanyl-7-ethyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[(4,4-dimethyl-2,6-dioxocyclohexyl)thio]-7-ethyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(4,4-dimethyl-2,6-dioxocyclohexyl)sulfanyl-7-ethyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[(2,6-diketo-4,4-dimethyl-cyclohexyl)thio]-7-ethyl-1,3-dimethyl-xanthine Formula: C17H22N4O4S MolecularWeight: 378.44598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SC3C(=O)CC(CC3=O)(C)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1SC3C(=O)CC(CC3=O)(C)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H22N4O4S/c1-6-21-11-13(19(4)16(25)20(5)14(11)24)18-15(21)26-12-9(22)7-17(2,3)8-10(12)23/h12H,6-8H2,1-5H3