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

Systemtic Name: 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-purine-2,6-dione Openeye Name: 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-purine-2,6-dione CAS Name: 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-[[2-(4-methylphenyl)-2-oxoethyl]thio]purine-2,6-dione IUPAC Name: 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpurine-2,6-dione Traditional Name: 7-(4-fluorobenzyl)-8-[[2-keto-2-(p-tolyl)ethyl]thio]-1,3-dimethyl-xanthine Formula: C23H21FN4O3S MolecularWeight: 452.501243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NC3=C(N2CC4=CC=C(C=C4)F)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NC3=C(N2CC4=CC=C(C=C4)F)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C23H21FN4O3S/c1-14-4-8-16(9-5-14)18(29)13-32-22-25-20-19(21(30)27(3)23(31)26(20)2)28(22)12-15-6-10-17(24)11-7-15/h4-11H,12-13H2,1-3H3