[(2R,3R,4R,5R)-5-[6-oxidanylidene-2-(2-phenoxyethanoylamino)-3H-purin-7-yl]-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate

Systemtic Name: [(2R,3R,4R,5R)-5-[6-oxidanylidene-2-(2-phenoxyethanoylamino)-3H-purin-7-yl]-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-[6-oxo-2-[(2-phenoxyacetyl)amino]-3H-purin-7-yl]tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-[6-oxo-2-[(1-oxo-2-phenoxyethyl)amino]-3H-purin-7-yl]-2-oxolanyl]methyl ester IUPAC Name: [(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-[6-oxo-2-[(2-phenoxyacetyl)amino]-3H-purin-7-yl]oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-[6-keto-2-[(2-phenoxyacetyl)amino]-3H-purin-7-yl]tetrahydrofuran-2-yl]methyl ester Formula: C39H31N5O10 MolecularWeight: 730.683595

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=NC4=C3C(=O)N=C(N4)NC(=O)COC5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@H]([13C@@H](O2)N3C=NC4=C3C(=O)N=C(N4)NC(=O)COC5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7

InChI

InChI=1S/C39H31N5O10/c45-29(22-50-27-19-11-4-12-20-27)41-39-42-33-30(34(46)43-39)44(23-40-33)35-32(54-38(49)26-17-9-3-10-18-26)31(53-37(48)25-15-7-2-8-16-25)28(52-35)21-51-36(47)24-13-5-1-6-14-24/h1-20,23,28,31-32,35H,21-22H2,(H2,41,42,43,45,46)/t28-,31-,32-,35-/m1/s1/i35+1