6-(4-ethylpiperazin-4-ium-1-yl)-N2-(3-methylphenyl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: 6-(4-ethylpiperazin-4-ium-1-yl)-N2-(3-methylphenyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: 6-(4-ethylpiperazin-4-ium-1-yl)-N2-(m-tolyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: 6-(4-ethyl-1-piperazin-4-iumyl)-N2-(3-methylphenyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 6-(4-ethylpiperazin-4-ium-1-yl)-2-N-(3-methylphenyl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-2-yl]-(m-tolyl)amine Formula: C17H24N7O2+ MolecularWeight: 358.41816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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