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

Systemtic Name: 3-[[4-azanyl-6-[(2-fluorophenyl)amino]-5-nitro-pyrimidin-2-yl]amino]propylazanium Openeye Name: 3-[[4-amino-6-(2-fluoroanilino)-5-nitro-pyrimidin-2-yl]amino]propylammonium CAS Name: 3-[[4-amino-6-(2-fluoroanilino)-5-nitro-2-pyrimidinyl]amino]propylammonium IUPAC Name: 3-[[4-amino-6-(2-fluoroanilino)-5-nitropyrimidin-2-yl]amino]propylazanium Traditional Name: 3-[[4-amino-6-(2-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=C(C(=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCC[NH3+])F

Isomeric SMILES

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

InChI

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