methyl 1-[2-[6-methyl-4-oxidanylidene-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[6-methyl-4-oxidanylidene-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[6-methyl-4-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[6-methyl-4-oxo-2-(1-phenylethylthio)-1H-pyrimidin-5-yl]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[6-methyl-4-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[4-keto-6-methyl-2-(1-phenylethylthio)-1H-pyrimidin-5-yl]acetyl]isonipecotic acid methyl ester Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC(C)C2=CC=CC=C2)CC(=O)N3CCC(CC3)C(=O)OC

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC(C)C2=CC=CC=C2)CC(=O)N3CCC(CC3)C(=O)OC

InChI

InChI=1S/C22H27N3O4S/c1-14-18(13-19(26)25-11-9-17(10-12-25)21(28)29-3)20(27)24-22(23-14)30-15(2)16-7-5-4-6-8-16/h4-8,15,17H,9-13H2,1-3H3,(H,23,24,27)