methyl 1-[2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[2-[(4-fluorophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[2-[(4-fluorobenzyl)thio]-4-keto-1H-pyrimidin-6-yl]acetyl]isonipecotic acid methyl ester Formula: C20H22FN3O4S MolecularWeight: 419.469783

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CC2=CC(=O)N=C(N2)SCC3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CC2=CC(=O)N=C(N2)SCC3=CC=C(C=C3)F

InChI

InChI=1S/C20H22FN3O4S/c1-28-19(27)14-6-8-24(9-7-14)18(26)11-16-10-17(25)23-20(22-16)29-12-13-2-4-15(21)5-3-13/h2-5,10,14H,6-9,11-12H2,1H3,(H,22,23,25)