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

Systemtic Name: 7-[(4-chlorophenyl)methyl]-8-[2-(2-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-8-[2-(2-fluorophenyl)-2-oxo-ethyl]sulfanyl-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-chlorophenyl)methyl]-8-[[2-(2-fluorophenyl)-2-oxoethyl]thio]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-8-[2-(2-fluorophenyl)-2-oxoethyl]sulfanyl-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-chlorobenzyl)-8-[[2-(2-fluorophenyl)-2-keto-ethyl]thio]-1,3-dimethyl-xanthine Formula: C22H18ClFN4O3S MolecularWeight: 472.919723

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)C3=CC=CC=C3F)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)C3=CC=CC=C3F)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H18ClFN4O3S/c1-26-19-18(20(30)27(2)22(26)31)28(11-13-7-9-14(23)10-8-13)21(25-19)32-12-17(29)15-5-3-4-6-16(15)24/h3-10H,11-12H2,1-2H3