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

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-1-(4-mesitylsulfonylpiperazino)propan-1-one Formula: C23H32N4O3S2 MolecularWeight: 476.65518

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4O3S2/c1-15-13-16(2)22(17(3)14-15)32(29,30)27-11-9-26(10-12-27)21(28)8-7-20-18(4)24-23(31-6)25-19(20)5/h13-14H,7-12H2,1-6H3