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

Systemtic Name: [5-(8-bromanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ethanoate Openeye Name: [5-(8-bromo-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [5-(8-bromo-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(8-bromo-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate Traditional Name: acetic acid [5-(8-bromo-6-keto-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C12H13BrN4O6 MolecularWeight: 389.15882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrN4O6/c1-4(18)22-2-5-7(19)8(20)11(23-5)17-9-6(16-12(17)13)10(21)15-3-14-9/h3,5,7-8,11,19-20H,2H2,1H3,(H,14,15,21)