[(2R,3R,4R)-3,4-diacetyloxy-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl benzoate

Systemtic Name: [(2R,3R,4R)-3,4-diacetyloxy-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl benzoate Openeye Name: [(2R,3R,4R)-3,4-diacetoxy-5-(2-amino-6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3R,4R)-3,4-diacetyloxy-5-(2-amino-6-oxo-3H-purin-9-yl)-2-oxolanyl]methyl ester IUPAC Name: [(2R,3R,4R)-3,4-diacetyloxy-5-(2-amino-6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3R,4R)-3,4-diacetoxy-5-(2-amino-6-keto-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C21H21N5O8 MolecularWeight: 471.42014

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(OC(C1OC(=O)C)N2C=NC3=C2NC(=NC3=O)N)COC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(=O)O[C@@H]1[C@H](OC([C@@H]1OC(=O)C)N2C=NC3=C2NC(=NC3=O)N)COC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H21N5O8/c1-10(27)32-15-13(8-31-20(30)12-6-4-3-5-7-12)34-19(16(15)33-11(2)28)26-9-23-14-17(26)24-21(22)25-18(14)29/h3-7,9,13,15-16,19H,8H2,1-2H3,(H3,22,24,25,29)/t13-,15-,16-,19?/m1/s1