ethyl 1-[3-[(4,5-dimethyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-[(4,5-dimethyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3-[(4,5-dimethyl-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[3-[[[4,5-dimethyl-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[3-[[(4,5-dimethyl-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:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=CC=C2)CSC3=NC(=C(C(=N3)N4CCOCC4)C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=CC=C2)CSC3=NC(=C(C(=N3)N4CCOCC4)C)C

InChI

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