methyl 1-[2-(5-methyl-2-methylsulfanyl-6-oxidanylidene-pyrimidin-1-yl)ethyl]-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(5-methyl-2-methylsulfanyl-6-oxidanylidene-pyrimidin-1-yl)ethyl]-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(5-methyl-2-methylsulfanyl-6-oxo-pyrimidin-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate CAS Name: 1-[2-[5-methyl-2-(methylthio)-6-oxo-1-pyrimidinyl]ethyl]-4-[N-(1-oxopropyl)anilino]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(5-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate Traditional Name: 1-[2-[6-keto-5-methyl-2-(methylthio)pyrimidin-1-yl]ethyl]-4-(N-propionylanilino)isonipecotic acid methyl ester Formula: C24H32N4O4S MolecularWeight: 472.60028

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCN3C(=O)C(=CN=C3SC)C)C(=O)OC

Isomeric SMILES

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCN3C(=O)C(=CN=C3SC)C)C(=O)OC

InChI

InChI=1S/C24H32N4O4S/c1-5-20(29)28(19-9-7-6-8-10-19)24(22(31)32-3)11-13-26(14-12-24)15-16-27-21(30)18(2)17-25-23(27)33-4/h6-10,17H,5,11-16H2,1-4H3