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

Systemtic Name: [(2S,4R)-5-(2-acetamido-6-oxidanylidene-3H-purin-7-yl)-4-acetyloxy-oxolan-2-yl]methyl benzoate Openeye Name: [(2S,4R)-5-(2-acetamido-6-oxo-3H-purin-7-yl)-4-acetoxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2S,4R)-5-(2-acetamido-6-oxo-3H-purin-7-yl)-4-acetyloxy-2-oxolanyl]methyl ester IUPAC Name: [(2S,4R)-5-(2-acetamido-6-oxo-3H-purin-7-yl)-4-acetyloxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S,4R)-5-(2-acetamido-6-keto-3H-purin-7-yl)-4-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=CN2C3C(CC(O3)COC(=O)C4=CC=CC=C4)OC(=O)C

Isomeric SMILES

CC(=O)NC1=NC(=O)C2=C(N1)N=CN2C3[C@@H](C[C@H](O3)COC(=O)C4=CC=CC=C4)OC(=O)C

InChI

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