[(2R,3S,5S)-3-acetyloxy-5-(6-benzamidopurin-9-yl)oxolan-2-yl]methyl benzoate

Systemtic Name: [(2R,3S,5S)-3-acetyloxy-5-(6-benzamidopurin-9-yl)oxolan-2-yl]methyl benzoate Openeye Name: [(2R,3S,5S)-3-acetoxy-5-(6-benzamidopurin-9-yl)tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3S,5S)-3-acetyloxy-5-(6-benzamido-9-purinyl)-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,5S)-3-acetyloxy-5-(6-benzamidopurin-9-yl)oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3S,5S)-3-acetoxy-5-(6-benzamidopurin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C26H23N5O6 MolecularWeight: 501.49072

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(OC1COC(=O)C2=CC=CC=C2)N3C=NC4=C3N=CN=C4NC(=O)C5=CC=CC=C5

Isomeric SMILES

CC(=O)O[C@H]1C[C@H](O[C@@H]1COC(=O)C2=CC=CC=C2)N3C=NC4=C3N=CN=C4NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H23N5O6/c1-16(32)36-19-12-21(37-20(19)13-35-26(34)18-10-6-3-7-11-18)31-15-29-22-23(27-14-28-24(22)31)30-25(33)17-8-4-2-5-9-17/h2-11,14-15,19-21H,12-13H2,1H3,(H,27,28,30,33)/t19-,20+,21-/m0/s1