6-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 6-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 6-[2-(azepan-1-yl)-2-oxo-ethyl]-2-benzylsulfanyl-1H-pyrimidin-4-one CAS Name: 6-[2-(1-azepanyl)-2-oxoethyl]-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 6-[2-(azepan-1-yl)-2-oxoethyl]-2-benzylsulfanyl-1H-pyrimidin-4-one Traditional Name: 6-[2-(azepan-1-yl)-2-keto-ethyl]-2-(benzylthio)-1H-pyrimidin-4-one Formula: C19H23N3O2S MolecularWeight: 357.46982

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3

InChI

InChI=1S/C19H23N3O2S/c23-17-12-16(13-18(24)22-10-6-1-2-7-11-22)20-19(21-17)25-14-15-8-4-3-5-9-15/h3-5,8-9,12H,1-2,6-7,10-11,13-14H2,(H,20,21,23)