[5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-bromanyl-3-methylsulfonyloxy-oxolan-2-yl]methyl benzoate

Systemtic Name: [5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-bromanyl-3-methylsulfonyloxy-oxolan-2-yl]methyl benzoate Openeye Name: [4-bromo-5-(2,4-dioxopyrimidin-1-yl)-3-methylsulfonyloxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [4-bromo-5-(2,4-dioxo-1-pyrimidinyl)-3-methylsulfonyloxy-2-oxolanyl]methyl ester IUPAC Name: [4-bromo-5-(2,4-dioxopyrimidin-1-yl)-3-methylsulfonyloxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [4-bromo-5-(2,4-diketopyrimidin-1-yl)-3-methylsulfonyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C17H17BrN2O8S MolecularWeight: 489.29448

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1C(OC(C1Br)N2C=CC(=O)NC2=O)COC(=O)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)OC1C(OC(C1Br)N2C=CC(=O)NC2=O)COC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H17BrN2O8S/c1-29(24,25)28-14-11(9-26-16(22)10-5-3-2-4-6-10)27-15(13(14)18)20-8-7-12(21)19-17(20)23/h2-8,11,13-15H,9H2,1H3,(H,19,21,23)