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

Systemtic Name: 2-[[4-azanyl-6-[(3-fluorophenyl)amino]-5-nitro-pyrimidin-2-yl]amino]ethanoate Openeye Name: 2-[[4-amino-6-(3-fluoroanilino)-5-nitro-pyrimidin-2-yl]amino]acetate CAS Name: 2-[[4-amino-6-(3-fluoroanilino)-5-nitro-2-pyrimidinyl]amino]acetate IUPAC Name: 2-[[4-amino-6-(3-fluoroanilino)-5-nitropyrimidin-2-yl]amino]acetate Traditional Name: 2-[[4-amino-6-(3-fluoroanilino)-5-nitro-pyrimidin-2-yl]amino]acetate Formula: C12H10FN6O4- MolecularWeight: 321.244003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11FN6O4/c13-6-2-1-3-7(4-6)16-11-9(19(22)23)10(14)17-12(18-11)15-5-8(20)21/h1-4H,5H2,(H,20,21)(H4,14,15,16,17,18)/p-1