[(2S,4S,5R)-5-acetyloxy-2-(6-benzamidopurin-9-yl)oxan-4-yl] ethanoate

Systemtic Name: [(2S,4S,5R)-5-acetyloxy-2-(6-benzamidopurin-9-yl)oxan-4-yl] ethanoate Openeye Name: [(2S,4S,5R)-5-acetoxy-2-(6-benzamidopurin-9-yl)tetrahydropyran-4-yl] acetate CAS Name: acetic acid [(2S,4S,5R)-5-acetyloxy-2-(6-benzamido-9-purinyl)-4-oxanyl] ester IUPAC Name: [(2S,4S,5R)-5-acetyloxy-2-(6-benzamidopurin-9-yl)oxan-4-yl] acetate Traditional Name: acetic acid [(2S,4S,5R)-5-acetoxy-2-(6-benzamidopurin-9-yl)tetrahydropyran-4-yl] ester Formula: C21H21N5O6 MolecularWeight: 439.42134

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(OCC1OC(=O)C)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O6/c1-12(27)31-15-8-17(30-9-16(15)32-13(2)28)26-11-24-18-19(22-10-23-20(18)26)25-21(29)14-6-4-3-5-7-14/h3-7,10-11,15-17H,8-9H2,1-2H3,(H,22,23,25,29)/t15-,16+,17-/m0/s1