2-[(2-fluorophenyl)methylsulfanyl]-6-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]pyrimidin-4-olate

Systemtic Name: 2-[(2-fluorophenyl)methylsulfanyl]-6-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]pyrimidin-4-olate Openeye Name: 2-[(2-fluorophenyl)methylsulfanyl]-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrimidin-4-olate CAS Name: 2-[(2-fluorophenyl)methylthio]-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-4-pyrimidinolate IUPAC Name: 2-[(2-fluorophenyl)methylsulfanyl]-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrimidin-4-olate Traditional Name: 2-[(2-fluorobenzyl)thio]-6-[2-keto-2-(4-phenylpiperazino)ethyl]pyrimidin-4-olate Formula: C23H22FN4O2S- MolecularWeight: 437.509783

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CC3=CC(=NC(=N3)SCC4=CC=CC=C4F)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CC3=CC(=NC(=N3)SCC4=CC=CC=C4F)[O-]

InChI

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