N2-[(2S)-butan-2-yl]-6-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-[(2S)-butan-2-yl]-6-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: 6-(4-ethylpiperazin-4-ium-1-yl)-N2-[(1S)-1-methylpropyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-[(2S)-butan-2-yl]-6-(4-ethyl-1-piperazin-4-iumyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-[(2S)-butan-2-yl]-6-(4-ethylpiperazin-4-ium-1-yl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-2-yl]-[(1S)-1-methylpropyl]amine Formula: C14H26N7O2+ MolecularWeight: 324.40194

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CC[NH+](CC2)CC

Isomeric SMILES

CC[C@H](C)NC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CC[NH+](CC2)CC

InChI

InChI=1S/C14H25N7O2/c1-4-10(3)16-14-17-12(15)11(21(22)23)13(18-14)20-8-6-19(5-2)7-9-20/h10H,4-9H2,1-3H3,(H3,15,16,17,18)/p+1/t10-/m0/s1