7-ethyl-3-methyl-8-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-purine-2,6-dione

Systemtic Name: 7-ethyl-3-methyl-8-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-purine-2,6-dione Openeye Name: 7-ethyl-3-methyl-8-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-purine-2,6-dione CAS Name: 7-ethyl-3-methyl-8-[[2-(4-methylphenyl)-2-oxoethyl]thio]purine-2,6-dione IUPAC Name: 7-ethyl-3-methyl-8-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpurine-2,6-dione Traditional Name: 7-ethyl-8-[[2-keto-2-(p-tolyl)ethyl]thio]-3-methyl-xanthine Formula: C17H18N4O3S MolecularWeight: 358.41482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC(=O)C3=CC=C(C=C3)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCN1C2=C(N=C1SCC(=O)C3=CC=C(C=C3)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H18N4O3S/c1-4-21-13-14(20(3)16(24)19-15(13)23)18-17(21)25-9-12(22)11-7-5-10(2)6-8-11/h5-8H,4,9H2,1-3H3,(H,19,23,24)