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

Systemtic Name: 8-[2-(2-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 8-[2-(2-fluorophenyl)-2-oxo-ethyl]sulfanyl-7-isopropyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[2-(2-fluorophenyl)-2-oxoethyl]thio]-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione IUPAC Name: 8-[2-(2-fluorophenyl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 8-[[2-(2-fluorophenyl)-2-keto-ethyl]thio]-7-isopropyl-1,3-dimethyl-xanthine Formula: C18H19FN4O3S MolecularWeight: 390.431863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1SCC(=O)C3=CC=CC=C3F)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)N1C2=C(N=C1SCC(=O)C3=CC=CC=C3F)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H19FN4O3S/c1-10(2)23-14-15(21(3)18(26)22(4)16(14)25)20-17(23)27-9-13(24)11-7-5-6-8-12(11)19/h5-8,10H,9H2,1-4H3