2-(4-ethylpiperazin-4-ium-1-yl)-N4-(2-fluorophenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: 2-(4-ethylpiperazin-4-ium-1-yl)-N4-(2-fluorophenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: 2-(4-ethylpiperazin-4-ium-1-yl)-N4-(2-fluorophenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: 2-(4-ethyl-1-piperazin-4-iumyl)-N4-(2-fluorophenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 2-(4-ethylpiperazin-4-ium-1-yl)-4-N-(2-fluorophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-amino-2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-4-yl]-(2-fluorophenyl)amine Formula: C16H21FN7O2+ MolecularWeight: 362.382043

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC(=C(C(=N2)NC3=CC=CC=C3F)[N+](=O)[O-])N

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC(=C(C(=N2)NC3=CC=CC=C3F)[N+](=O)[O-])N

InChI

InChI=1S/C16H20FN7O2/c1-2-22-7-9-23(10-8-22)16-20-14(18)13(24(25)26)15(21-16)19-12-6-4-3-5-11(12)17/h3-6H,2,7-10H2,1H3,(H3,18,19,20,21)/p+1