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

Systemtic Name: 6-(4-ethylpiperazin-4-ium-1-yl)-N2-(3-methylbutyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: 6-(4-ethylpiperazin-4-ium-1-yl)-N2-isopentyl-5-nitro-pyrimidine-2,4-diamine CAS Name: 6-(4-ethyl-1-piperazin-4-iumyl)-N2-(3-methylbutyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 6-(4-ethylpiperazin-4-ium-1-yl)-2-N-(3-methylbutyl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-2-yl]-isoamyl-amine Formula: C15H28N7O2+ MolecularWeight: 338.42852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H27N7O2/c1-4-20-7-9-21(10-8-20)14-12(22(23)24)13(16)18-15(19-14)17-6-5-11(2)3/h11H,4-10H2,1-3H3,(H3,16,17,18,19)/p+1