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

Systemtic Name: [(2S,3R)-2-(phenylcarbonyloxymethyl)-5-purin-9-yl-oxolan-3-yl]methyl benzoate Openeye Name: [(2S,3R)-2-(benzoyloxymethyl)-5-purin-9-yl-tetrahydrofuran-3-yl]methyl benzoate CAS Name: benzoic acid [(2S,3R)-2-(benzoyloxymethyl)-5-(9-purinyl)-3-oxolanyl]methyl ester IUPAC Name: [(2S,3R)-2-(benzoyloxymethyl)-5-purin-9-yloxolan-3-yl]methyl benzoate Traditional Name: benzoic acid [(2S,3R)-2-(benzoyloxymethyl)-5-purin-9-yl-tetrahydrofuran-3-yl]methyl ester Formula: C25H22N4O5 MolecularWeight: 458.46598

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=CN=CN=C32)COC(=O)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5

Isomeric SMILES

C1[C@@H]([C@H](OC1N2C=NC3=CN=CN=C32)COC(=O)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H22N4O5/c30-24(17-7-3-1-4-8-17)32-13-19-11-22(29-16-28-20-12-26-15-27-23(20)29)34-21(19)14-33-25(31)18-9-5-2-6-10-18/h1-10,12,15-16,19,21-22H,11,13-14H2/t19-,21-,22?/m1/s1