8-[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[2-(2,5-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[2-(2,5-dimethoxyphenyl)-2-oxoethyl]thio]-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[[2-(2,5-dimethoxyphenyl)-2-keto-ethyl]thio]-7-(4-fluorobenzyl)-1,3-dimethyl-xanthine Formula: C24H23FN4O5S MolecularWeight: 498.526623

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)C3=C(C=CC(=C3)OC)OC)CC4=CC=C(C=C4)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)C3=C(C=CC(=C3)OC)OC)CC4=CC=C(C=C4)F

InChI

InChI=1S/C24H23FN4O5S/c1-27-21-20(22(31)28(2)24(27)32)29(12-14-5-7-15(25)8-6-14)23(26-21)35-13-18(30)17-11-16(33-3)9-10-19(17)34-4/h5-11H,12-13H2,1-4H3