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

Systemtic Name: ethyl 1-[4-[[4-ethyl-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-[[4-ethyl-6-(2-methyl-1-piperidyl)pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-3-carboxylate CAS Name: 1-[[4-[[[4-ethyl-6-(2-methyl-1-piperidinyl)-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[[4-ethyl-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-3-carboxylate Traditional Name: 1-[4-[[[4-ethyl-6-(2-methylpiperidino)pyrimidin-2-yl]thio]methyl]benzoyl]nipecotic acid ethyl ester Formula: C28H38N4O3S MolecularWeight: 510.69132

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CCCC(C3)C(=O)OCC)N4CCCCC4C

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CCCC(C3)C(=O)OCC)N4CCCCC4C

InChI

InChI=1S/C28H38N4O3S/c1-4-24-17-25(32-16-7-6-9-20(32)3)30-28(29-24)36-19-21-11-13-22(14-12-21)26(33)31-15-8-10-23(18-31)27(34)35-5-2/h11-14,17,20,23H,4-10,15-16,18-19H2,1-3H3