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

Systemtic Name: [(2R,3S,5R)-5-(2-acetamido-6-oxidanylidene-3H-purin-7-yl)-3-(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [(2R,3S,5R)-5-(2-acetamido-6-oxo-3H-purin-7-yl)-3-benzoyloxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3S,5R)-5-(2-acetamido-6-oxo-3H-purin-7-yl)-3-benzoyloxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,5R)-5-(2-acetamido-6-oxo-3H-purin-7-yl)-3-benzoyloxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3S,5R)-5-(2-acetamido-6-keto-3H-purin-7-yl)-3-benzoyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C26H23N5O7 MolecularWeight: 517.49012

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)C2=C(N1)N=CN2C3CC(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

CC(=O)NC1=NC(=O)C2=C(N1)N=CN2[C@H]3C[C@@H]([C@H](O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H23N5O7/c1-15(32)28-26-29-22-21(23(33)30-26)31(14-27-22)20-12-18(38-25(35)17-10-6-3-7-11-17)19(37-20)13-36-24(34)16-8-4-2-5-9-16/h2-11,14,18-20H,12-13H2,1H3,(H2,28,29,30,32,33)/t18-,19+,20+/m0/s1