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

Systemtic Name: N2-(3-methylbutyl)-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-isopentyl-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(3-methylbutyl)-6-(4-methyl-1-piperazin-4-iumyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(3-methylbutyl)-6-(4-methylpiperazin-4-ium-1-yl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-2-yl]-isoamyl-amine Formula: C14H26N7O2+ MolecularWeight: 324.40194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CC[NH+](CC2)C

Isomeric SMILES

CC(C)CCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CC[NH+](CC2)C

InChI

InChI=1S/C14H25N7O2/c1-10(2)4-5-16-14-17-12(15)11(21(22)23)13(18-14)20-8-6-19(3)7-9-20/h10H,4-9H2,1-3H3,(H3,15,16,17,18)/p+1