2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-[4-(4-fluorophenyl)piperazino]-2-keto-ethyl]thio]pyrimidin-4-olate Formula: C16H16FN4O2S- MolecularWeight: 347.387243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CSC3=NC=CC(=N3)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CSC3=NC=CC(=N3)[O-]

InChI

InChI=1S/C16H17FN4O2S/c17-12-1-3-13(4-2-12)20-7-9-21(10-8-20)15(23)11-24-16-18-6-5-14(22)19-16/h1-6H,7-11H2,(H,18,19,22)/p-1