[(2R,3S,5R)-3-acetyloxy-5-(6-imidazol-1-ylpurin-9-yl)oxolan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,5R)-3-acetyloxy-5-(6-imidazol-1-ylpurin-9-yl)oxolan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,5R)-3-acetoxy-5-(6-imidazol-1-ylpurin-9-yl)tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,5R)-3-acetyloxy-5-[6-(1-imidazolyl)-9-purinyl]-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,5R)-3-acetyloxy-5-(6-imidazol-1-ylpurin-9-yl)oxolan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,5R)-3-acetoxy-5-(6-imidazol-1-ylpurin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C17H18N6O5 MolecularWeight: 386.36202

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(CC(O1)N2C=NC3=C2N=CN=C3N4C=CN=C4)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=NC3=C2N=CN=C3N4C=CN=C4)OC(=O)C

InChI

InChI=1S/C17H18N6O5/c1-10(24)26-6-13-12(27-11(2)25)5-14(28-13)23-9-21-15-16(19-7-20-17(15)23)22-4-3-18-8-22/h3-4,7-9,12-14H,5-6H2,1-2H3/t12-,13+,14+/m0/s1