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

Systemtic Name: ethyl 1-[3-[(4-ethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[3-[(4-ethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzoyl]piperidine-3-carboxylate CAS Name: 1-[[3-[[[4-ethyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(4-ethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]benzoyl]piperidine-3-carboxylate Traditional Name: 1-[3-[[(4-ethyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]benzoyl]nipecotic acid ethyl ester Formula: C26H34N4O3S MolecularWeight: 482.63816

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N3CCCC(C3)C(=O)OCC)N4CCCC4

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N3CCCC(C3)C(=O)OCC)N4CCCC4

InChI

InChI=1S/C26H34N4O3S/c1-3-22-16-23(29-12-5-6-13-29)28-26(27-22)34-18-19-9-7-10-20(15-19)24(31)30-14-8-11-21(17-30)25(32)33-4-2/h7,9-10,15-16,21H,3-6,8,11-14,17-18H2,1-2H3