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

Systemtic Name: ethyl 1-[4-[(4-chloranyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-[(4-chloro-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]benzoyl]piperidine-3-carboxylate CAS Name: 1-[[4-[[[4-chloro-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]benzoyl]piperidine-3-carboxylate Traditional Name: 1-[4-[[(4-chloro-6-morpholino-pyrimidin-2-yl)thio]methyl]benzoyl]nipecotic acid ethyl ester Formula: C24H29ClN4O4S MolecularWeight: 505.02946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29ClN4O4S/c1-2-33-23(31)19-4-3-9-29(15-19)22(30)18-7-5-17(6-8-18)16-34-24-26-20(25)14-21(27-24)28-10-12-32-13-11-28/h5-8,14,19H,2-4,9-13,15-16H2,1H3