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

Systemtic Name: 8-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-3-methyl-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 8-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-3-methyl-7-(4-methylbenzyl)xanthine Formula: C22H19ClN4O3S MolecularWeight: 454.92926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(N=C2SCC(=O)C4=CC=C(C=C4)Cl)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(N=C2SCC(=O)C4=CC=C(C=C4)Cl)N(C(=O)NC3=O)C

InChI

InChI=1S/C22H19ClN4O3S/c1-13-3-5-14(6-4-13)11-27-18-19(26(2)21(30)25-20(18)29)24-22(27)31-12-17(28)15-7-9-16(23)10-8-15/h3-10H,11-12H2,1-2H3,(H,25,29,30)