6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]pyrimidin-4-olate CAS Name: 6-[2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl]-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-olate Traditional Name: 2-(benzylthio)-6-[2-[4-(2-fluorophenyl)piperazino]-2-keto-ethyl]pyrimidin-4-olate Formula: C23H22FN4O2S- MolecularWeight: 437.509783

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C(=O)CC3=CC(=NC(=N3)SCC4=CC=CC=C4)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C(=O)CC3=CC(=NC(=N3)SCC4=CC=CC=C4)[O-]

InChI

InChI=1S/C23H23FN4O2S/c24-19-8-4-5-9-20(19)27-10-12-28(13-11-27)22(30)15-18-14-21(29)26-23(25-18)31-16-17-6-2-1-3-7-17/h1-9,14H,10-13,15-16H2,(H,25,26,29)/p-1