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

Systemtic Name: 6-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2-[(3-chlorophenyl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-[2-(azepan-1-yl)-2-oxo-ethyl]-2-[(3-chlorophenyl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-[2-(1-azepanyl)-2-oxoethyl]-2-[(3-chlorophenyl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-[2-(azepan-1-yl)-2-oxoethyl]-2-[(3-chlorophenyl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-[2-(azepan-1-yl)-2-keto-ethyl]-2-[(3-chlorobenzyl)thio]-1H-pyrimidin-4-one Formula: C19H22ClN3O2S MolecularWeight: 391.91488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN3O2S/c20-15-7-5-6-14(10-15)13-26-19-21-16(11-17(24)22-19)12-18(25)23-8-3-1-2-4-9-23/h5-7,10-11H,1-4,8-9,12-13H2,(H,21,22,24)