[(5R)-3,4-diacetyloxy-5-(2-azanyl-8-bromanyl-6-oxidanylidene-5H-purin-9-yl)oxolan-2-yl]methyl ethanoate

Systemtic Name: [(5R)-3,4-diacetyloxy-5-(2-azanyl-8-bromanyl-6-oxidanylidene-5H-purin-9-yl)oxolan-2-yl]methyl ethanoate Openeye Name: [(5R)-3,4-diacetoxy-5-(2-amino-8-bromo-6-oxo-5H-purin-9-yl)tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [(5R)-3,4-diacetyloxy-5-(2-amino-8-bromo-6-oxo-5H-purin-9-yl)-2-oxolanyl]methyl ester IUPAC Name: [(5R)-3,4-diacetyloxy-5-(2-amino-8-bromo-6-oxo-5H-purin-9-yl)oxolan-2-yl]methyl acetate Traditional Name: acetic acid [(5R)-3,4-diacetoxy-5-(2-amino-8-bromo-6-keto-5H-purin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C16H18BrN5O8 MolecularWeight: 488.24682

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(O1)N2C3=NC(=NC(=O)C3N=C2Br)N)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C([C@@H](O1)N2C3=NC(=NC(=O)C3N=C2Br)N)OC(=O)C)OC(=O)C

InChI

InChI=1S/C16H18BrN5O8/c1-5(23)27-4-8-10(28-6(2)24)11(29-7(3)25)14(30-8)22-12-9(19-15(22)17)13(26)21-16(18)20-12/h8-11,14H,4H2,1-3H3,(H2,18,21,26)/t8?,9?,10?,11?,14-/m1/s1