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

Systemtic Name: 1-ethyl-3,7-dimethyl-8-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-purine-2,6-dione Openeye Name: 1-ethyl-3,7-dimethyl-8-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-purine-2,6-dione CAS Name: 1-ethyl-3,7-dimethyl-8-[[2-(4-methylphenyl)-2-oxoethyl]thio]purine-2,6-dione IUPAC Name: 1-ethyl-3,7-dimethyl-8-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpurine-2,6-dione Traditional Name: 1-ethyl-8-[[2-keto-2-(p-tolyl)ethyl]thio]-3,7-dimethyl-xanthine Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2C)SCC(=O)C3=CC=C(C=C3)C)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2C)SCC(=O)C3=CC=C(C=C3)C)N(C1=O)C

InChI

InChI=1S/C18H20N4O3S/c1-5-22-16(24)14-15(21(4)18(22)25)19-17(20(14)3)26-10-13(23)12-8-6-11(2)7-9-12/h6-9H,5,10H2,1-4H3