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

Systemtic Name: 6-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-6-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]-1H-pyrimidin-4-one CAS Name: 6-[2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl]-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-6-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-6-[2-[4-(3-chlorophenyl)piperazino]-2-keto-ethyl]-1H-pyrimidin-4-one Formula: C23H23ClN4O2S MolecularWeight: 454.97232

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CC3=CC(=O)N=C(N3)SCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CC3=CC(=O)N=C(N3)SCC4=CC=CC=C4

InChI

InChI=1S/C23H23ClN4O2S/c24-18-7-4-8-20(13-18)27-9-11-28(12-10-27)22(30)15-19-14-21(29)26-23(25-19)31-16-17-5-2-1-3-6-17/h1-8,13-14H,9-12,15-16H2,(H,25,26,29)