ethyl 1-[4-[[4-chloranyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[[4-chloranyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-[[4-chloro-6-(4-methyl-1-piperidyl)pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-[[[4-chloro-6-(4-methyl-1-piperidinyl)-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[[4-chloro-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[[[4-chloro-6-(4-methylpiperidino)pyrimidin-2-yl]thio]methyl]benzoyl]isonipecotic acid ethyl ester Formula: C26H33ClN4O3S MolecularWeight: 517.08322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N4CCC(CC4)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N4CCC(CC4)C

InChI

InChI=1S/C26H33ClN4O3S/c1-3-34-25(33)21-10-14-31(15-11-21)24(32)20-6-4-19(5-7-20)17-35-26-28-22(27)16-23(29-26)30-12-8-18(2)9-13-30/h4-7,16,18,21H,3,8-15,17H2,1-2H3