N2-(4-methoxyphenyl)-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-(4-methoxyphenyl)-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-(4-methoxyphenyl)-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(4-methoxyphenyl)-6-(4-methyl-1-piperazin-4-iumyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(4-methoxyphenyl)-6-(4-methylpiperazin-4-ium-1-yl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-2-yl]-(4-methoxyphenyl)amine Formula: C16H22N7O3+ MolecularWeight: 360.39098

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C(=NC(=N2)NC3=CC=C(C=C3)OC)N)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C(=NC(=N2)NC3=CC=C(C=C3)OC)N)[N+](=O)[O-]

InChI

InChI=1S/C16H21N7O3/c1-21-7-9-22(10-8-21)15-13(23(24)25)14(17)19-16(20-15)18-11-3-5-12(26-2)6-4-11/h3-6H,7-10H2,1-2H3,(H3,17,18,19,20)/p+1