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

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-pyrimidin-4-one Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-pyrimidin-4-one CAS Name: 2-[(3-chlorophenyl)methylthio]-6-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-1H-pyrimidin-4-one IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-pyrimidin-4-one Traditional Name: 2-[(3-chlorobenzyl)thio]-6-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-1H-pyrimidin-4-one Formula: C21H21ClN6O2S MolecularWeight: 456.94844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN6O2S/c22-16-4-1-3-15(11-16)14-31-21-25-17(12-18(29)26-21)13-19(30)27-7-9-28(10-8-27)20-23-5-2-6-24-20/h1-6,11-12H,7-10,13-14H2,(H,25,26,29)