3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2-methylsulfanyl-6-phenyl-pyrimidin-4-one

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2-methylsulfanyl-6-phenyl-pyrimidin-4-one Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-2-methylsulfanyl-6-phenyl-pyrimidin-4-one CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-2-(methylthio)-6-phenyl-4-pyrimidinone IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-2-methylsulfanyl-6-phenylpyrimidin-4-one Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-2-(methylthio)-6-phenyl-pyrimidin-4-one Formula: C19H23N3O2S MolecularWeight: 357.46982

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=O)N1CC(=O)N2CCCCCC2)C3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=CC(=O)N1CC(=O)N2CCCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C19H23N3O2S/c1-25-19-20-16(15-9-5-4-6-10-15)13-17(23)22(19)14-18(24)21-11-7-2-3-8-12-21/h4-6,9-10,13H,2-3,7-8,11-12,14H2,1H3