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

Systemtic Name: 8-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl]sulfanyl-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]thio]-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl]thio]-7-(4-fluorobenzyl)-1,3-dimethyl-xanthine Formula: C24H21FN4O5S MolecularWeight: 496.510743

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=CC4=C(C=C3)OCCO4)CC5=CC=C(C=C5)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)C3=CC4=C(C=C3)OCCO4)CC5=CC=C(C=C5)F

InChI

InChI=1S/C24H21FN4O5S/c1-27-21-20(22(31)28(2)24(27)32)29(12-14-3-6-16(25)7-4-14)23(26-21)35-13-17(30)15-5-8-18-19(11-15)34-10-9-33-18/h3-8,11H,9-10,12-13H2,1-2H3