[(2R,3R,4S,5R)-2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)-4-(phenylcarbonyloxy)oxolan-3-yl] benzoate

Systemtic Name: [(2R,3R,4S,5R)-2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)-4-(phenylcarbonyloxy)oxolan-3-yl] benzoate Openeye Name: [(2R,3R,4S,5R)-4-benzoyloxy-2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)tetrahydrofuran-3-yl] benzoate CAS Name: benzoic acid [(2R,3R,4S,5R)-4-benzoyloxy-2-(hydroxymethyl)-5-(6-methoxy-9-purinyl)-3-oxolanyl] ester IUPAC Name: [(2R,3R,4S,5R)-4-benzoyloxy-2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)oxolan-3-yl] benzoate Traditional Name: benzoic acid [(2R,3R,4S,5R)-4-benzoyloxy-5-(6-methoxypurin-9-yl)-2-methylol-tetrahydrofuran-3-yl] ester Formula: C25H22N4O7 MolecularWeight: 490.46478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=NC=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H22N4O7/c1-33-22-18-21(26-13-27-22)29(14-28-18)23-20(36-25(32)16-10-6-3-7-11-16)19(17(12-30)34-23)35-24(31)15-8-4-2-5-9-15/h2-11,13-14,17,19-20,23,30H,12H2,1H3/t17-,19-,20+,23-/m1/s1