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

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-1H-pyrimidin-4-one Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H-pyrimidin-4-one CAS Name: 2-[(3-chlorophenyl)methylthio]-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-1H-pyrimidin-4-one IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H-pyrimidin-4-one Traditional Name: 2-[(3-chlorobenzyl)thio]-6-[2-keto-2-(4-phenylpiperazino)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)C(=O)CC3=CC(=O)N=C(N3)SCC4=CC(=CC=C4)Cl

Isomeric SMILES

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

InChI

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