[(2R,3S,5S)-5-(2-acetamido-6-oxidanylidene-3H-purin-9-yl)-3-acetyloxy-oxolan-2-yl]methyl benzoate

Systemtic Name: [(2R,3S,5S)-5-(2-acetamido-6-oxidanylidene-3H-purin-9-yl)-3-acetyloxy-oxolan-2-yl]methyl benzoate Openeye Name: [(2R,3S,5S)-5-(2-acetamido-6-oxo-3H-purin-9-yl)-3-acetoxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3S,5S)-5-(2-acetamido-6-oxo-3H-purin-9-yl)-3-acetyloxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,5S)-5-(2-acetamido-6-oxo-3H-purin-9-yl)-3-acetyloxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3S,5S)-5-(2-acetamido-6-keto-3H-purin-9-yl)-3-acetoxy-tetrahydrofuran-2-yl]methyl ester Formula: C21H21N5O7 MolecularWeight: 455.42074

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C3CC(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C

Isomeric SMILES

CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]3C[C@@H]([C@H](O3)COC(=O)C4=CC=CC=C4)OC(=O)C

InChI

InChI=1S/C21H21N5O7/c1-11(27)23-21-24-18-17(19(29)25-21)22-10-26(18)16-8-14(32-12(2)28)15(33-16)9-31-20(30)13-6-4-3-5-7-13/h3-7,10,14-16H,8-9H2,1-2H3,(H2,23,24,25,27,29)/t14-,15+,16-/m0/s1