N4-(2-fluorophenyl)-N2-(2-morpholin-4-ium-4-ylethyl)-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N4-(2-fluorophenyl)-N2-(2-morpholin-4-ium-4-ylethyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(2-fluorophenyl)-N2-(2-morpholin-4-ium-4-ylethyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(2-fluorophenyl)-N2-[2-(4-morpholin-4-iumyl)ethyl]-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(2-fluorophenyl)-2-N-(2-morpholin-4-ium-4-ylethyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(2-fluoroanilino)-5-nitro-pyrimidin-2-yl]-(2-morpholin-4-ium-4-ylethyl)amine Formula: C16H21FN7O3+ MolecularWeight: 378.381443

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC2=NC(=C(C(=N2)NC3=CC=CC=C3F)[N+](=O)[O-])N

Isomeric SMILES

C1COCC[NH+]1CCNC2=NC(=C(C(=N2)NC3=CC=CC=C3F)[N+](=O)[O-])N

InChI

InChI=1S/C16H20FN7O3/c17-11-3-1-2-4-12(11)20-15-13(24(25)26)14(18)21-16(22-15)19-5-6-23-7-9-27-10-8-23/h1-4H,5-10H2,(H4,18,19,20,21,22)/p+1