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

Systemtic Name: ethyl 1-[5-[(4-morpholin-4-yl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]furan-2-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[5-[(4-morpholino-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]furan-2-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[5-[[[4-(4-morpholinyl)-6-phenyl-2-pyrimidinyl]thio]methyl]-2-furanyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-[(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)sulfanylmethyl]furan-2-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[5-[[(4-morpholino-6-phenyl-pyrimidin-2-yl)thio]methyl]-2-furoyl]nipecotic acid ethyl ester Formula: C28H32N4O5S MolecularWeight: 536.64248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(O2)CSC3=NC(=CC(=N3)N4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(O2)CSC3=NC(=CC(=N3)N4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C28H32N4O5S/c1-2-36-27(34)21-9-6-12-32(18-21)26(33)24-11-10-22(37-24)19-38-28-29-23(20-7-4-3-5-8-20)17-25(30-28)31-13-15-35-16-14-31/h3-5,7-8,10-11,17,21H,2,6,9,12-16,18-19H2,1H3