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

Systemtic Name: 2-[(2-fluorophenyl)methylsulfanyl]-6-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrimidin-4-olate Openeye Name: 2-[(2-fluorophenyl)methylsulfanyl]-6-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrimidin-4-olate CAS Name: 2-[(2-fluorophenyl)methylthio]-6-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-4-pyrimidinolate IUPAC Name: 2-[(2-fluorophenyl)methylsulfanyl]-6-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrimidin-4-olate Traditional Name: 2-[(2-fluorobenzyl)thio]-6-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]pyrimidin-4-olate Formula: C21H20FN6O2S- MolecularWeight: 439.485903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CC3=CC(=NC(=N3)SCC4=CC=CC=C4F)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CC3=CC(=NC(=N3)SCC4=CC=CC=C4F)[O-]

InChI

InChI=1S/C21H21FN6O2S/c22-17-5-2-1-4-15(17)14-31-21-25-16(12-18(29)26-21)13-19(30)27-8-10-28(11-9-27)20-23-6-3-7-24-20/h1-7,12H,8-11,13-14H2,(H,25,26,29)/p-1