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

Systemtic Name: [3-bromanyl-4-oxidanyl-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl ethanoate Openeye Name: [3-bromo-4-hydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [3-bromo-4-hydroxy-5-(6-oxo-3H-purin-9-yl)-2-oxolanyl]methyl ester IUPAC Name: [3-bromo-4-hydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl acetate Traditional Name: acetic acid [3-bromo-4-hydroxy-5-(6-keto-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C12H13BrN4O5 MolecularWeight: 373.15942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrN4O5/c1-5(18)21-2-6-7(13)9(19)12(22-6)17-4-16-8-10(17)14-3-15-11(8)20/h3-4,6-7,9,12,19H,2H2,1H3,(H,14,15,20)