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

Systemtic Name: ethyl 1-[4-[(4-ethyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-[(4-ethyl-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-[[[4-ethyl-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[[(4-ethyl-6-morpholino-pyrimidin-2-yl)thio]methyl]benzoyl]isonipecotic acid ethyl ester Formula: C26H34N4O4S MolecularWeight: 498.63756

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)OCC)N4CCOCC4

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)OCC)N4CCOCC4

InChI

InChI=1S/C26H34N4O4S/c1-3-22-17-23(29-13-15-33-16-14-29)28-26(27-22)35-18-19-5-7-20(8-6-19)24(31)30-11-9-21(10-12-30)25(32)34-4-2/h5-8,17,21H,3-4,9-16,18H2,1-2H3