methyl 1-(6-azanyl-5-chloranyl-2-fluoranyl-pyrimidin-4-yl)pyridin-1-ium-3-carboxylate

Systemtic Name: methyl 1-(6-azanyl-5-chloranyl-2-fluoranyl-pyrimidin-4-yl)pyridin-1-ium-3-carboxylate Openeye Name: methyl 1-(6-amino-5-chloro-2-fluoro-pyrimidin-4-yl)pyridin-1-ium-3-carboxylate CAS Name: 1-(6-amino-5-chloro-2-fluoro-4-pyrimidinyl)-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-(6-amino-5-chloro-2-fluoropyrimidin-4-yl)pyridin-1-ium-3-carboxylate Traditional Name: 1-(6-amino-5-chloro-2-fluoro-pyrimidin-4-yl)pyridin-1-ium-3-carboxylic acid methyl ester Formula: C11H9ClFN4O2+ MolecularWeight: 283.666163

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C[N+](=CC=C1)C2=C(C(=NC(=N2)F)N)Cl

Isomeric SMILES

COC(=O)C1=C[N+](=CC=C1)C2=C(C(=NC(=N2)F)N)Cl

InChI

InChI=1S/C11H9ClFN4O2/c1-19-10(18)6-3-2-4-17(5-6)9-7(12)8(14)15-11(13)16-9/h2-5H,1H3,(H2,14,15,16)/q+1