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

Systemtic Name: ethyl 1-[4-[(4-morpholin-4-yl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-[(4-morpholino-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]benzoyl]piperidine-3-carboxylate CAS Name: 1-[[4-[[[4-(4-morpholinyl)-6-phenyl-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)sulfanylmethyl]benzoyl]piperidine-3-carboxylate Traditional Name: 1-[4-[[(4-morpholino-6-phenyl-pyrimidin-2-yl)thio]methyl]benzoyl]nipecotic acid ethyl ester Formula: C30H34N4O4S MolecularWeight: 546.68036

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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)N4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)N4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C30H34N4O4S/c1-2-38-29(36)25-9-6-14-34(20-25)28(35)24-12-10-22(11-13-24)21-39-30-31-26(23-7-4-3-5-8-23)19-27(32-30)33-15-17-37-18-16-33/h3-5,7-8,10-13,19,25H,2,6,9,14-18,20-21H2,1H3