ethyl 1-[2-(4-fluorophenyl)-1-(2-methylsulfanylpyrimidin-4-yl)imidazol-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(4-fluorophenyl)-1-(2-methylsulfanylpyrimidin-4-yl)imidazol-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(4-fluorophenyl)-1-(2-methylsulfanylpyrimidin-4-yl)imidazol-4-yl]piperidine-4-carboxylate CAS Name: 1-[2-(4-fluorophenyl)-1-[2-(methylthio)-4-pyrimidinyl]-4-imidazolyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-fluorophenyl)-1-(2-methylsulfanylpyrimidin-4-yl)imidazol-4-yl]piperidine-4-carboxylate Traditional Name: 1-[2-(4-fluorophenyl)-1-[2-(methylthio)pyrimidin-4-yl]imidazol-4-yl]isonipecotic acid ethyl ester Formula: C22H24FN5O2S MolecularWeight: 441.521663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=CN(C(=N2)C3=CC=C(C=C3)F)C4=NC(=NC=C4)SC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=CN(C(=N2)C3=CC=C(C=C3)F)C4=NC(=NC=C4)SC

InChI

InChI=1S/C22H24FN5O2S/c1-3-30-21(29)16-9-12-27(13-10-16)19-14-28(18-8-11-24-22(26-18)31-2)20(25-19)15-4-6-17(23)7-5-15/h4-8,11,14,16H,3,9-10,12-13H2,1-2H3