[2-[6-azanyl-1-methyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 2-bromanyl-4-fluoranyl-benzoate

Systemtic Name: [2-[6-azanyl-1-methyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 2-bromanyl-4-fluoranyl-benzoate Openeye Name: [2-(6-amino-1-methyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] 2-bromo-4-fluoro-benzoate CAS Name: 2-bromo-4-fluorobenzoic acid [2-(6-amino-1-methyl-2,4-dioxo-5-pyrimidinyl)-2-oxoethyl] ester IUPAC Name: [2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 2-bromo-4-fluorobenzoate Traditional Name: 2-bromo-4-fluoro-benzoic acid [2-(6-amino-2,4-diketo-1-methyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C14H11BrFN3O5 MolecularWeight: 400.156643

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)NC1=O)C(=O)COC(=O)C2=C(C=C(C=C2)F)Br)N

Isomeric SMILES

CN1C(=C(C(=O)NC1=O)C(=O)COC(=O)C2=C(C=C(C=C2)F)Br)N

InChI

InChI=1S/C14H11BrFN3O5/c1-19-11(17)10(12(21)18-14(19)23)9(20)5-24-13(22)7-3-2-6(16)4-8(7)15/h2-4H,5,17H2,1H3,(H,18,21,23)