[5-(2-acetamido-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate

Systemtic Name: [5-(2-acetamido-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [5-(2-acetamido-6-oxo-3H-purin-9-yl)-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [5-(2-acetamido-6-oxo-3H-purin-9-yl)-3,4-dibenzoyloxy-2-oxolanyl]methyl ester IUPAC Name: [5-(2-acetamido-6-oxo-3H-purin-9-yl)-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [5-(2-acetamido-6-keto-3H-purin-9-yl)-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C33H27N5O9 MolecularWeight: 637.59558

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

Isomeric SMILES

CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

InChI

InChI=1S/C33H27N5O9/c1-19(39)35-33-36-27-24(28(40)37-33)34-18-38(27)29-26(47-32(43)22-15-9-4-10-16-22)25(46-31(42)21-13-7-3-8-14-21)23(45-29)17-44-30(41)20-11-5-2-6-12-20/h2-16,18,23,25-26,29H,17H2,1H3,(H2,35,36,37,39,40)