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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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