6-(4-methylpiperazin-4-ium-1-yl)-5-(phenylsulfonyl)pyrimidine-2,4-diamine

Systemtic Name: 6-(4-methylpiperazin-4-ium-1-yl)-5-(phenylsulfonyl)pyrimidine-2,4-diamine Openeye Name: 5-(benzenesulfonyl)-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine-2,4-diamine CAS Name: 5-(benzenesulfonyl)-6-(4-methyl-1-piperazin-4-iumyl)pyrimidine-2,4-diamine IUPAC Name: 5-(benzenesulfonyl)-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine-2,4-diamine Traditional Name: [2-amino-5-besyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-4-yl]amine Formula: C15H21N6O2S+ MolecularWeight: 349.43124

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C(=NC(=N2)N)N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C(=NC(=N2)N)N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C15H20N6O2S/c1-20-7-9-21(10-8-20)14-12(13(16)18-15(17)19-14)24(22,23)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H4,16,17,18,19)/p+1