[5-(6-methoxypurin-9-yl)-3-oxidanyl-4-(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=NC=NC2=C1N=CN2C3C(C(C(O3)COC(=O)C4=CC=CC=C4)O)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(30)17(35-23)12-34-24(31)15-8-4-2-5-9-15/h2-11,13-14,17,19-20,23,30H,12H2,1H3