4-methyl-6-(4-methylpiperazin-4-ium-1-yl)-2-[4-(phenylsulfonyl)piperazin-1-yl]pyrimidine

Systemtic Name: 4-methyl-6-(4-methylpiperazin-4-ium-1-yl)-2-[4-(phenylsulfonyl)piperazin-1-yl]pyrimidine Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-4-methyl-6-(4-methyl-1-piperazin-4-iumyl)pyrimidine IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine Traditional Name: 2-(4-besylpiperazino)-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine Formula: C20H29N6O2S+ MolecularWeight: 417.54826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N6O2S/c1-17-16-19(24-10-8-23(2)9-11-24)22-20(21-17)25-12-14-26(15-13-25)29(27,28)18-6-4-3-5-7-18/h3-7,16H,8-15H2,1-2H3/p+1