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

Systemtic Name: [3,4-diacetyloxy-5-[8-bromanyl-2,6-bis(oxidanylidene)-3H-purin-9-yl]oxolan-2-yl]methyl ethanoate Openeye Name: [3,4-diacetoxy-5-(8-bromo-2,6-dioxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [3,4-diacetyloxy-5-(8-bromo-2,6-dioxo-3H-purin-9-yl)-2-oxolanyl]methyl ester IUPAC Name: [3,4-diacetyloxy-5-(8-bromo-2,6-dioxo-3H-purin-9-yl)oxolan-2-yl]methyl acetate Traditional Name: acetic acid [3,4-diacetoxy-5-(8-bromo-2,6-diketo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C16H17BrN4O9 MolecularWeight: 489.23158

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(O1)N2C3=C(C(=O)NC(=O)N3)N=C2Br)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(O1)N2C3=C(C(=O)NC(=O)N3)N=C2Br)OC(=O)C)OC(=O)C

InChI

InChI=1S/C16H17BrN4O9/c1-5(22)27-4-8-10(28-6(2)23)11(29-7(3)24)14(30-8)21-12-9(18-15(21)17)13(25)20-16(26)19-12/h8,10-11,14H,4H2,1-3H3,(H2,19,20,25,26)