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

Systemtic Name: 6-(4-ethylpiperazin-4-ium-1-yl)-N2,N2-dimethyl-5-nitro-pyrimidine-2,4-diamine Openeye Name: 6-(4-ethylpiperazin-4-ium-1-yl)-N2,N2-dimethyl-5-nitro-pyrimidine-2,4-diamine CAS Name: 6-(4-ethyl-1-piperazin-4-iumyl)-N2,N2-dimethyl-5-nitropyrimidine-2,4-diamine IUPAC Name: 6-(4-ethylpiperazin-4-ium-1-yl)-2-N,2-N-dimethyl-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-2-yl]-dimethyl-amine Formula: C12H22N7O2+ MolecularWeight: 296.34878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21N7O2/c1-4-17-5-7-18(8-6-17)11-9(19(20)21)10(13)14-12(15-11)16(2)3/h4-8H2,1-3H3,(H2,13,14,15)/p+1