[(2R,3R,4R,5R)-4-acetyloxy-3-cyano-3-methylsulfonyloxy-5-(6-oxidanylidene-3H-purin-7-yl)oxolan-2-yl]methyl benzoate

Systemtic Name: [(2R,3R,4R,5R)-4-acetyloxy-3-cyano-3-methylsulfonyloxy-5-(6-oxidanylidene-3H-purin-7-yl)oxolan-2-yl]methyl benzoate Openeye Name: [(2R,3R,4R,5R)-4-acetoxy-3-cyano-3-methylsulfonyloxy-5-(6-oxo-3H-purin-7-yl)tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3R,4R,5R)-4-acetyloxy-3-cyano-3-methylsulfonyloxy-5-(6-oxo-3H-purin-7-yl)-2-oxolanyl]methyl ester IUPAC Name: [(2R,3R,4R,5R)-4-acetyloxy-3-cyano-3-methylsulfonyloxy-5-(6-oxo-3H-purin-7-yl)oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3R,4R,5R)-4-acetoxy-3-cyano-5-(6-keto-3H-purin-7-yl)-3-methylsulfonyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C21H19N5O9S MolecularWeight: 517.46866

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(OC(C1(C#N)OS(=O)(=O)C)COC(=O)C2=CC=CC=C2)N3C=NC4=C3C(=O)N=CN4

Isomeric SMILES

CC(=O)O[C@H]1[C@@H](O[C@@H]([C@@]1(C#N)OS(=O)(=O)C)COC(=O)C2=CC=CC=C2)N3C=NC4=C3C(=O)N=CN4

InChI

InChI=1S/C21H19N5O9S/c1-12(27)33-16-19(26-11-25-17-15(26)18(28)24-10-23-17)34-14(21(16,9-22)35-36(2,30)31)8-32-20(29)13-6-4-3-5-7-13/h3-7,10-11,14,16,19H,8H2,1-2H3,(H,23,24,28)/t14-,16+,19-,21-/m1/s1