6-methyl-5-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-5-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-6-methyl-5-[2-[4-(m-tolyl)piperazin-1-yl]-2-oxo-ethyl]-1H-pyrimidin-4-one CAS Name: 6-methyl-5-[2-[4-(3-methylphenyl)-1-piperazinyl]-2-oxoethyl]-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-6-methyl-5-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-5-[2-keto-2-[4-(m-tolyl)piperazino]ethyl]-6-methyl-1H-pyrimidin-4-one Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O2S/c1-18-7-6-10-21(15-18)28-11-13-29(14-12-28)23(30)16-22-19(2)26-25(27-24(22)31)32-17-20-8-4-3-5-9-20/h3-10,15H,11-14,16-17H2,1-2H3,(H,26,27,31)