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

Systemtic Name: N4-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-chlorophenyl)-2-(4-methyl-1-piperazin-4-iumyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4-chlorophenyl)-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-chlorophenyl)amine Formula: C15H19ClN7O2+ MolecularWeight: 364.81006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClN7O2/c1-21-6-8-22(9-7-21)15-19-13(17)12(23(24)25)14(20-15)18-11-4-2-10(16)3-5-11/h2-5H,6-9H2,1H3,(H3,17,18,19,20)/p+1