6-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 6-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-6-[2-oxo-2-(1-piperidyl)ethyl]-1H-pyrimidin-4-one CAS Name: 6-[2-oxo-2-(1-piperidinyl)ethyl]-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-6-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-6-(2-keto-2-piperidino-ethyl)-1H-pyrimidin-4-one Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O2S/c22-16-11-15(12-17(23)21-9-5-2-6-10-21)19-18(20-16)24-13-14-7-3-1-4-8-14/h1,3-4,7-8,11H,2,5-6,9-10,12-13H2,(H,19,20,22)