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

Systemtic Name: 6-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-6-[2-[4-(m-tolyl)piperazin-1-yl]-2-oxo-ethyl]-1H-pyrimidin-4-one CAS Name: 6-[2-[4-(3-methylphenyl)-1-piperazinyl]-2-oxoethyl]-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-6-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-6-[2-keto-2-[4-(m-tolyl)piperazino]ethyl]-1H-pyrimidin-4-one Formula: C24H26N4O2S MolecularWeight: 434.55384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CC3=CC(=O)N=C(N3)SCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CC3=CC(=O)N=C(N3)SCC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O2S/c1-18-6-5-9-21(14-18)27-10-12-28(13-11-27)23(30)16-20-15-22(29)26-24(25-20)31-17-19-7-3-2-4-8-19/h2-9,14-15H,10-13,16-17H2,1H3,(H,25,26,29)