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

Systemtic Name: ethyl 1-[4-[(4-ethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-[(4-ethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzoyl]piperidine-3-carboxylate CAS Name: 1-[[4-[[[4-ethyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(4-ethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]benzoyl]piperidine-3-carboxylate Traditional Name: 1-[4-[[(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=C(C=C2)C(=O)N3CCCC(C3)C(=O)OCC)N4CCCC4

Isomeric SMILES

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

InChI

InChI=1S/C26H34N4O3S/c1-3-22-16-23(29-13-5-6-14-29)28-26(27-22)34-18-19-9-11-20(12-10-19)24(31)30-15-7-8-21(17-30)25(32)33-4-2/h9-12,16,21H,3-8,13-15,17-18H2,1-2H3