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

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-6-(2-oxidanylidene-2-piperidin-1-yl-ethyl)pyrimidin-4-olate Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-6-[2-oxo-2-(1-piperidyl)ethyl]pyrimidin-4-olate CAS Name: 2-[(4-fluorophenyl)methylthio]-6-[2-oxo-2-(1-piperidinyl)ethyl]-4-pyrimidinolate IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-6-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-olate Traditional Name: 2-[(4-fluorobenzyl)thio]-6-(2-keto-2-piperidino-ethyl)pyrimidin-4-olate Formula: C18H19FN3O2S- MolecularWeight: 360.425763

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CC2=CC(=NC(=N2)SCC3=CC=C(C=C3)F)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)CC2=CC(=NC(=N2)SCC3=CC=C(C=C3)F)[O-]

InChI

InChI=1S/C18H20FN3O2S/c19-14-6-4-13(5-7-14)12-25-18-20-15(10-16(23)21-18)11-17(24)22-8-2-1-3-9-22/h4-7,10H,1-3,8-9,11-12H2,(H,20,21,23)/p-1