[(2S,3R,4R,5R)-3-acetamido-4-acetyloxy-5-(6-benzamidopurin-9-yl)oxolan-2-yl]methyl ethanoate

Systemtic Name: [(2S,3R,4R,5R)-3-acetamido-4-acetyloxy-5-(6-benzamidopurin-9-yl)oxolan-2-yl]methyl ethanoate Openeye Name: [(2S,3R,4R,5R)-3-acetamido-4-acetoxy-5-(6-benzamidopurin-9-yl)tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [(2S,3R,4R,5R)-3-acetamido-4-acetyloxy-5-(6-benzamido-9-purinyl)-2-oxolanyl]methyl ester IUPAC Name: [(2S,3R,4R,5R)-3-acetamido-4-acetyloxy-5-(6-benzamidopurin-9-yl)oxolan-2-yl]methyl acetate Traditional Name: acetic acid [(2S,3R,4R,5R)-3-acetamido-4-acetoxy-5-(6-benzamidopurin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C23H24N6O7 MolecularWeight: 496.47266

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(OC(C1OC(=O)C)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)COC(=O)C

Isomeric SMILES

CC(=O)N[C@@H]1[C@H](O[C@H]([C@@H]1OC(=O)C)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)COC(=O)C

InChI

InChI=1S/C23H24N6O7/c1-12(30)27-17-16(9-34-13(2)31)36-23(19(17)35-14(3)32)29-11-26-18-20(24-10-25-21(18)29)28-22(33)15-7-5-4-6-8-15/h4-8,10-11,16-17,19,23H,9H2,1-3H3,(H,27,30)(H,24,25,28,33)/t16-,17-,19-,23-/m1/s1