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

Systemtic Name: 1,3,7-trimethyl-8-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[[2-(4-methylphenyl)-2-oxoethyl]thio]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpurine-2,6-dione Traditional Name: 8-[[2-keto-2-(p-tolyl)ethyl]thio]-1,3,7-trimethyl-xanthine Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

InChI

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