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

Systemtic Name: [(2S,3S,4R,5R)-5-[2-acetamido-6-(diphenylcarbamoyloxy)purin-9-yl]-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [(2S,3S,4R,5R)-5-[2-acetamido-6-(diphenylcarbamoyloxy)purin-9-yl]-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2S,3S,4R,5R)-5-[2-acetamido-6-[oxo-(N-phenylanilino)methoxy]-9-purinyl]-3,4-dibenzoyloxy-2-oxolanyl]methyl ester IUPAC Name: [(2S,3S,4R,5R)-5-[2-acetamido-6-(diphenylcarbamoyloxy)purin-9-yl]-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S,3S,4R,5R)-5-[2-acetamido-6-(diphenylcarbamoyloxy)purin-9-yl]-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C46H36N6O10 MolecularWeight: 833.804895

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(C(=N1)OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)N=CN2C5C(C(C(O5)COC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8

Isomeric SMILES

CC(=O)NC1=NC2=C(C(=N1)OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)N=CN2[C@H]5[C@@H]([C@@H]([C@H](O5)[13CH2]OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8

InChI

InChI=1S/C46H36N6O10/c1-29(53)48-45-49-39-36(40(50-45)62-46(57)52(33-23-13-5-14-24-33)34-25-15-6-16-26-34)47-28-51(39)41-38(61-44(56)32-21-11-4-12-22-32)37(60-43(55)31-19-9-3-10-20-31)35(59-41)27-58-42(54)30-17-7-2-8-18-30/h2-26,28,35,37-38,41H,27H2,1H3,(H,48,49,50,53)/t35-,37-,38-,41-/m1/s1/i27+1