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

Systemtic Name: 1-ethyl-8-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-ethyl-8-[2-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-3,7-dimethyl-purine-2,6-dione CAS Name: 1-ethyl-8-[[2-(4-fluorophenyl)-2-oxoethyl]thio]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-ethyl-8-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-3,7-dimethylpurine-2,6-dione Traditional Name: 1-ethyl-8-[[2-(4-fluorophenyl)-2-keto-ethyl]thio]-3,7-dimethyl-xanthine Formula: C17H17FN4O3S MolecularWeight: 376.405283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2C)SCC(=O)C3=CC=C(C=C3)F)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2C)SCC(=O)C3=CC=C(C=C3)F)N(C1=O)C

InChI

InChI=1S/C17H17FN4O3S/c1-4-22-15(24)13-14(21(3)17(22)25)19-16(20(13)2)26-9-12(23)10-5-7-11(18)8-6-10/h5-8H,4,9H2,1-3H3