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

Systemtic Name: 3-[[4-azanyl-6-[(3-fluorophenyl)amino]-5-nitro-pyrimidin-2-yl]amino]propylazanium Openeye Name: 3-[[4-amino-6-(3-fluoroanilino)-5-nitro-pyrimidin-2-yl]amino]propylammonium CAS Name: 3-[[4-amino-6-(3-fluoroanilino)-5-nitro-2-pyrimidinyl]amino]propylammonium IUPAC Name: 3-[[4-amino-6-(3-fluoroanilino)-5-nitropyrimidin-2-yl]amino]propylazanium Traditional Name: 3-[[4-amino-6-(3-fluoroanilino)-5-nitro-pyrimidin-2-yl]amino]propylammonium Formula: C13H17FN7O2+ MolecularWeight: 322.318183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCC[NH3+]

Isomeric SMILES

C1=CC(=CC(=C1)F)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCC[NH3+]

InChI

InChI=1S/C13H16FN7O2/c14-8-3-1-4-9(7-8)18-12-10(21(22)23)11(16)19-13(20-12)17-6-2-5-15/h1,3-4,7H,2,5-6,15H2,(H4,16,17,18,19,20)/p+1