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

Systemtic Name: 6-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-6-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]pyrimidin-4-olate CAS Name: 6-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidin-4-olate Traditional Name: 2-(benzylthio)-6-[2-keto-2-(4-methylpiperidino)ethyl]pyrimidin-4-olate Formula: C19H22N3O2S- MolecularWeight: 356.46188

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3)[O-]

Isomeric SMILES

CC1CCN(CC1)C(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3)[O-]

InChI

InChI=1S/C19H23N3O2S/c1-14-7-9-22(10-8-14)18(24)12-16-11-17(23)21-19(20-16)25-13-15-5-3-2-4-6-15/h2-6,11,14H,7-10,12-13H2,1H3,(H,20,21,23)/p-1