3-[[4-azanyl-6-[(2-fluorophenyl)amino]-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-azanyl-6-[(2-fluorophenyl)amino]-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[4-amino-6-(2-fluoroanilino)-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[4-amino-6-(2-fluoroanilino)-5-nitro-2-pyrimidinyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-amino-6-(2-fluoroanilino)-5-nitropyrimidin-2-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-amino-6-(2-fluoroanilino)-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-ammonium Formula: C15H21FN7O2+ MolecularWeight: 350.371343

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC1=NC(=C(C(=N1)NC2=CC=CC=C2F)[N+](=O)[O-])N

Isomeric SMILES

C[NH+](C)CCCNC1=NC(=C(C(=N1)NC2=CC=CC=C2F)[N+](=O)[O-])N

InChI

InChI=1S/C15H20FN7O2/c1-22(2)9-5-8-18-15-20-13(17)12(23(24)25)14(21-15)19-11-7-4-3-6-10(11)16/h3-4,6-7H,5,8-9H2,1-2H3,(H4,17,18,19,20,21)/p+1