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

Systemtic Name: 6-(4-ethylpiperazin-4-ium-1-yl)-N2-(2-methoxyethyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: 6-(4-ethylpiperazin-4-ium-1-yl)-N2-(2-methoxyethyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: 6-(4-ethyl-1-piperazin-4-iumyl)-N2-(2-methoxyethyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 6-(4-ethylpiperazin-4-ium-1-yl)-2-N-(2-methoxyethyl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-2-yl]-(2-methoxyethyl)amine Formula: C13H24N7O3+ MolecularWeight: 326.37476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H23N7O3/c1-3-18-5-7-19(8-6-18)12-10(20(21)22)11(14)16-13(17-12)15-4-9-23-2/h3-9H2,1-2H3,(H3,14,15,16,17)/p+1