[4-[2-(6-bromanyl-2-fluoranyl-purin-9-yl)ethanoyloxy]oxolan-2-yl]methyl benzoate

Systemtic Name: [4-[2-(6-bromanyl-2-fluoranyl-purin-9-yl)ethanoyloxy]oxolan-2-yl]methyl benzoate Openeye Name: [4-[2-(6-bromo-2-fluoro-purin-9-yl)acetyl]oxytetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [4-[2-(6-bromo-2-fluoro-9-purinyl)-1-oxoethoxy]-2-oxolanyl]methyl ester IUPAC Name: [4-[2-(6-bromo-2-fluoropurin-9-yl)acetyl]oxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [4-[2-(6-bromo-2-fluoro-purin-9-yl)acetyl]oxytetrahydrofuran-2-yl]methyl ester Formula: C19H16BrFN4O5 MolecularWeight: 479.256543

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Descriptors Computed from Structure

Canonical SMILES:

C1C(COC1COC(=O)C2=CC=CC=C2)OC(=O)CN3C=NC4=C3N=C(N=C4Br)F

Isomeric SMILES

C1C(COC1COC(=O)C2=CC=CC=C2)OC(=O)CN3C=NC4=C3N=C(N=C4Br)F

InChI

InChI=1S/C19H16BrFN4O5/c20-16-15-17(24-19(21)23-16)25(10-22-15)7-14(26)30-13-6-12(28-9-13)8-29-18(27)11-4-2-1-3-5-11/h1-5,10,12-13H,6-9H2