8-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3,7-dimethyl-9H-purin-7-ium-2,6-dione

Systemtic Name: 8-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3,7-dimethyl-9H-purin-7-ium-2,6-dione Openeye Name: 8-[2-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-3,7-dimethyl-9H-purin-7-ium-2,6-dione CAS Name: 8-[[2-(4-fluorophenyl)-2-oxoethyl]thio]-3,7-dimethyl-9H-purin-7-ium-2,6-dione IUPAC Name: 8-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-3,7-dimethyl-9H-purin-7-ium-2,6-dione Traditional Name: 8-[[2-(4-fluorophenyl)-2-keto-ethyl]thio]-3,7-dimethyl-9H-purin-7-ium-2,6-quinone Formula: C15H14FN4O3S+ MolecularWeight: 349.360063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)[N+](=C(N2)SCC(=O)C3=CC=C(C=C3)F)C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)[N+](=C(N2)SCC(=O)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C15H13FN4O3S/c1-19-11-12(20(2)14(23)18-13(11)22)17-15(19)24-7-10(21)8-3-5-9(16)6-4-8/h3-6H,7H2,1-2H3,(H,18,22,23)/p+1