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

Systemtic Name: [3,4-diacetyloxy-5-(8-bromanyl-6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl ethanoate Openeye Name: [3,4-diacetoxy-5-(8-bromo-6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [3,4-diacetyloxy-5-(8-bromo-6-oxo-3H-purin-9-yl)-2-oxolanyl]methyl ester IUPAC Name: [3,4-diacetyloxy-5-(8-bromo-6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl acetate Traditional Name: acetic acid [3,4-diacetoxy-5-(8-bromo-6-keto-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C16H17BrN4O8 MolecularWeight: 473.23218

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(O1)N2C3=C(C(=O)N=CN3)N=C2Br)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(O1)N2C3=C(C(=O)N=CN3)N=C2Br)OC(=O)C)OC(=O)C

InChI

InChI=1S/C16H17BrN4O8/c1-6(22)26-4-9-11(27-7(2)23)12(28-8(3)24)15(29-9)21-13-10(20-16(21)17)14(25)19-5-18-13/h5,9,11-12,15H,4H2,1-3H3,(H,18,19,25)