3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-1-[4-(2,5-dimethylphenyl)sulfonylpiperazino]propan-1-one Formula: C22H30N4O3S2 MolecularWeight: 462.6286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=C(N=C(N=C3C)SC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=C(N=C(N=C3C)SC)C

InChI

InChI=1S/C22H30N4O3S2/c1-15-6-7-16(2)20(14-15)31(28,29)26-12-10-25(11-13-26)21(27)9-8-19-17(3)23-22(30-5)24-18(19)4/h6-7,14H,8-13H2,1-5H3