2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine

Systemtic Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine Openeye Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine CAS Name: 2-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-4-methyl-6-(4-methyl-1-piperazin-4-iumyl)pyrimidine IUPAC Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine Traditional Name: 2-(4-brosylpiperazino)-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine Formula: C20H28BrN6O2S+ MolecularWeight: 496.44432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br)N4CC[NH+](CC4)C

InChI

InChI=1S/C20H27BrN6O2S/c1-16-15-19(25-9-7-24(2)8-10-25)23-20(22-16)26-11-13-27(14-12-26)30(28,29)18-5-3-17(21)4-6-18/h3-6,15H,7-14H2,1-2H3/p+1