[(2R,3S,4S,5R)-4-acetyloxy-3-bromanyl-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,4S,5R)-4-acetyloxy-3-bromanyl-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,4S,5R)-4-acetoxy-3-bromo-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,4S,5R)-4-acetyloxy-3-bromo-5-(6-oxo-3H-purin-9-yl)-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R)-4-acetyloxy-3-bromo-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,4S,5R)-4-acetoxy-3-bromo-5-(6-keto-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C14H15BrN4O6 MolecularWeight: 415.1961

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(O1)N2C=NC3=C2NC=NC3=O)OC(=O)C)Br

Isomeric SMILES

CC(=O)OC[C@@H]1[C@@H]([C@H]([C@@H](O1)N2C=NC3=C2NC=NC3=O)OC(=O)C)Br

InChI

InChI=1S/C14H15BrN4O6/c1-6(20)23-3-8-9(15)11(24-7(2)21)14(25-8)19-5-18-10-12(19)16-4-17-13(10)22/h4-5,8-9,11,14H,3H2,1-2H3,(H,16,17,22)/t8-,9+,11-,14-/m1/s1