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

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrimidin-4-one Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]-1H-pyrimidin-4-one CAS Name: 2-[(3-chlorophenyl)methylthio]-6-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-1H-pyrimidin-4-one IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrimidin-4-one Traditional Name: 2-[(3-chlorobenzyl)thio]-6-[2-keto-2-[4-(2-pyridyl)piperazino]ethyl]-1H-pyrimidin-4-one Formula: C22H22ClN5O2S MolecularWeight: 455.96038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)CC3=CC(=O)N=C(N3)SCC4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)CC3=CC(=O)N=C(N3)SCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H22ClN5O2S/c23-17-5-3-4-16(12-17)15-31-22-25-18(13-20(29)26-22)14-21(30)28-10-8-27(9-11-28)19-6-1-2-7-24-19/h1-7,12-13H,8-11,14-15H2,(H,25,26,29)