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

Systemtic Name: methyl 1-[2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[4-oxo-2-(phenylmethylthio)-1H-pyrimidin-6-yl]ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[2-(benzylthio)-4-keto-1H-pyrimidin-6-yl]acetyl]isonipecotic acid methyl ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O4S/c1-27-19(26)15-7-9-23(10-8-15)18(25)12-16-11-17(24)22-20(21-16)28-13-14-5-3-2-4-6-14/h2-6,11,15H,7-10,12-13H2,1H3,(H,21,22,24)