[(2S,3R)-5-(6-methoxypurin-9-yl)-2-(phenylcarbonyloxymethyl)oxolan-3-yl]methyl benzoate

Systemtic Name: [(2S,3R)-5-(6-methoxypurin-9-yl)-2-(phenylcarbonyloxymethyl)oxolan-3-yl]methyl benzoate Openeye Name: [(2S,3R)-2-(benzoyloxymethyl)-5-(6-methoxypurin-9-yl)tetrahydrofuran-3-yl]methyl benzoate CAS Name: benzoic acid [(2S,3R)-2-(benzoyloxymethyl)-5-(6-methoxy-9-purinyl)-3-oxolanyl]methyl ester IUPAC Name: [(2S,3R)-2-(benzoyloxymethyl)-5-(6-methoxypurin-9-yl)oxolan-3-yl]methyl benzoate Traditional Name: benzoic acid [(2S,3R)-2-(benzoyloxymethyl)-5-(6-methoxypurin-9-yl)tetrahydrofuran-3-yl]methyl ester Formula: C26H24N4O6 MolecularWeight: 488.49196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=NC2=C1N=CN2C3CC(C(O3)COC(=O)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=NC=NC2=C1N=CN2C3C[C@@H]([C@H](O3)COC(=O)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H24N4O6/c1-33-24-22-23(27-15-28-24)30(16-29-22)21-12-19(13-34-25(31)17-8-4-2-5-9-17)20(36-21)14-35-26(32)18-10-6-3-7-11-18/h2-11,15-16,19-21H,12-14H2,1H3/t19-,20-,21?/m1/s1