1-[3-(3-fluoranyl-4-methoxy-phenyl)carbonylpiperidin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[3-(3-fluoranyl-4-methoxy-phenyl)carbonylpiperidin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[3-(3-fluoro-4-methoxy-benzoyl)-1-piperidyl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[3-[(3-fluoro-4-methoxyphenyl)-oxomethyl]-1-piperidinyl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[3-(3-fluoro-4-methoxybenzoyl)piperidin-1-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[3-(3-fluoro-4-methoxy-benzoyl)piperidino]-2-(2-pyrimidylthio)ethanone Formula: C19H20FN3O3S MolecularWeight: 389.443803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2CCCN(C2)C(=O)CSC3=NC=CC=N3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C2CCCN(C2)C(=O)CSC3=NC=CC=N3)F

InChI

InChI=1S/C19H20FN3O3S/c1-26-16-6-5-13(10-15(16)20)18(25)14-4-2-9-23(11-14)17(24)12-27-19-21-7-3-8-22-19/h3,5-8,10,14H,2,4,9,11-12H2,1H3