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

Systemtic Name: ethyl 1-[3-[(4,5-dimethyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[3-[(4,5-dimethyl-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]benzoyl]piperidine-3-carboxylate CAS Name: 1-[[3-[[[4,5-dimethyl-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]benzoyl]piperidine-3-carboxylate Traditional Name: 1-[3-[[(4,5-dimethyl-6-morpholino-pyrimidin-2-yl)thio]methyl]benzoyl]nipecotic acid ethyl ester Formula: C26H34N4O4S MolecularWeight: 498.63756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=CC=C2)CSC3=NC(=C(C(=N3)N4CCOCC4)C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=CC=C2)CSC3=NC(=C(C(=N3)N4CCOCC4)C)C

InChI

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