methyl 1-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]acetyl]isonipecotic acid methyl ester Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N3CCC(CC3)C(=O)OC

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N3CCC(CC3)C(=O)OC

InChI

InChI=1S/C20H23N3O3S/c1-14-12-17(15-6-4-3-5-7-15)22-20(21-14)27-13-18(24)23-10-8-16(9-11-23)19(25)26-2/h3-7,12,16H,8-11,13H2,1-2H3