ethyl 1-[3-[[4-methyl-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-[[4-methyl-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3-[[4-methyl-6-(2-methyl-1-piperidyl)pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[3-[[[4-methyl-6-(2-methyl-1-piperidinyl)-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[[4-methyl-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[3-[[[4-methyl-6-(2-methylpiperidino)pyrimidin-2-yl]thio]methyl]benzoyl]isonipecotic acid ethyl ester Formula: C27H36N4O3S MolecularWeight: 496.66474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)N4CCCCC4C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)N4CCCCC4C)C

InChI

InChI=1S/C27H36N4O3S/c1-4-34-26(33)22-11-14-30(15-12-22)25(32)23-10-7-9-21(17-23)18-35-27-28-19(2)16-24(29-27)31-13-6-5-8-20(31)3/h7,9-10,16-17,20,22H,4-6,8,11-15,18H2,1-3H3