5-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-6-methyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 5-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-6-methyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-5-[2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-oxo-ethyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[2-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-oxoethyl]-6-methyl-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-5-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-5-[2-[4-(5-chloro-2-methyl-phenyl)piperazino]-2-keto-ethyl]-6-methyl-1H-pyrimidin-4-one Formula: C25H27ClN4O2S MolecularWeight: 483.02548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CC3=C(NC(=NC3=O)SCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CC3=C(NC(=NC3=O)SCC4=CC=CC=C4)C

InChI

InChI=1S/C25H27ClN4O2S/c1-17-8-9-20(26)14-22(17)29-10-12-30(13-11-29)23(31)15-21-18(2)27-25(28-24(21)32)33-16-19-6-4-3-5-7-19/h3-9,14H,10-13,15-16H2,1-2H3,(H,27,28,32)