6-[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 6-[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-6-[2-(4-methoxycarbonyl-1-piperidyl)-2-oxo-ethyl]pyrimidin-4-olate CAS Name: 6-[2-(4-methoxycarbonyl-1-piperidinyl)-2-oxoethyl]-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-6-[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl]pyrimidin-4-olate Traditional Name: 2-(benzylthio)-6-[2-(4-carbomethoxypiperidino)-2-keto-ethyl]pyrimidin-4-olate Formula: C20H22N3O4S- MolecularWeight: 400.47138

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3)[O-]

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3)[O-]

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)/p-1