2-[4-(5-tert-butyl-2-methoxy-phenyl)sulfonylpiperazin-1-yl]-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine

Systemtic Name: 2-[4-(5-tert-butyl-2-methoxy-phenyl)sulfonylpiperazin-1-yl]-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine Openeye Name: 2-[4-(5-tert-butyl-2-methoxy-phenyl)sulfonylpiperazin-1-yl]-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine CAS Name: 2-[4-(5-tert-butyl-2-methoxyphenyl)sulfonyl-1-piperazinyl]-4-methyl-6-(4-methyl-1-piperazin-4-iumyl)pyrimidine IUPAC Name: 2-[4-(5-tert-butyl-2-methoxyphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine Traditional Name: 2-[4-(5-tert-butyl-2-methoxy-phenyl)sulfonylpiperazino]-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine Formula: C25H39N6O3S+ MolecularWeight: 503.68056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38N6O3S/c1-19-17-23(29-11-9-28(5)10-12-29)27-24(26-19)30-13-15-31(16-14-30)35(32,33)22-18-20(25(2,3)4)7-8-21(22)34-6/h7-8,17-18H,9-16H2,1-6H3/p+1