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

Systemtic Name: 6-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-6-(2-oxo-2-pyrrolidin-1-yl-ethyl)-1H-pyrimidin-4-one CAS Name: 6-[2-oxo-2-(1-pyrrolidinyl)ethyl]-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-6-(2-keto-2-pyrrolidino-ethyl)-1H-pyrimidin-4-one Formula: C17H19N3O2S MolecularWeight: 329.41666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)C(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3

InChI

InChI=1S/C17H19N3O2S/c21-15-10-14(11-16(22)20-8-4-5-9-20)18-17(19-15)23-12-13-6-2-1-3-7-13/h1-3,6-7,10H,4-5,8-9,11-12H2,(H,18,19,21)