N4-(3,4-dimethylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(3,4-dimethylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(3,4-dimethylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(3,4-dimethylphenyl)-2-(4-methyl-1-piperazin-4-iumyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(3,4-dimethylphenyl)-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]-(3,4-dimethylphenyl)amine Formula: C17H24N7O2+ MolecularWeight: 358.41816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)N3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)N3CC[NH+](CC3)C)C

InChI

InChI=1S/C17H23N7O2/c1-11-4-5-13(10-12(11)2)19-16-14(24(25)26)15(18)20-17(21-16)23-8-6-22(3)7-9-23/h4-5,10H,6-9H2,1-3H3,(H3,18,19,20,21)/p+1