N4-(4-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(4-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-methoxyphenyl)-2-(4-methyl-1-piperazin-4-iumyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-amino-2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-4-yl]-(4-methoxyphenyl)amine Formula: C16H22N7O3+ MolecularWeight: 360.39098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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