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

Systemtic Name: 7-[(4-fluorophenyl)methyl]-8-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(4-fluorophenyl)methyl]-8-[2-(3-methoxyphenyl)-2-oxo-ethyl]sulfanyl-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-fluorophenyl)methyl]-8-[[2-(3-methoxyphenyl)-2-oxoethyl]thio]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(4-fluorophenyl)methyl]-8-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-fluorobenzyl)-8-[[2-keto-2-(3-methoxyphenyl)ethyl]thio]-1,3-dimethyl-xanthine Formula: C23H21FN4O4S MolecularWeight: 468.500643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21FN4O4S/c1-26-20-19(21(30)27(2)23(26)31)28(12-14-7-9-16(24)10-8-14)22(25-20)33-13-18(29)15-5-4-6-17(11-15)32-3/h4-11H,12-13H2,1-3H3