[5-(hydroxymethyl)-4-oxidanyl-2-(6-oxidanylidene-3H-purin-9-yl)oxolan-3-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [5-(hydroxymethyl)-4-oxidanyl-2-(6-oxidanylidene-3H-purin-9-yl)oxolan-3-yl] tris(fluoranyl)methanesulfonate Openeye Name: [4-hydroxy-5-(hydroxymethyl)-2-(6-oxo-3H-purin-9-yl)tetrahydrofuran-3-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [4-hydroxy-5-(hydroxymethyl)-2-(6-oxo-3H-purin-9-yl)-3-oxolanyl] ester IUPAC Name: [4-hydroxy-5-(hydroxymethyl)-2-(6-oxo-3H-purin-9-yl)oxolan-3-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-hydroxy-2-(6-keto-3H-purin-9-yl)-5-methylol-tetrahydrofuran-3-yl] ester Formula: C11H11F3N4O7S MolecularWeight: 400.28785

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)CO)O)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)CO)O)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C11H11F3N4O7S/c12-11(13,14)26(22,23)25-7-6(20)4(1-19)24-10(7)18-3-17-5-8(18)15-2-16-9(5)21/h2-4,6-7,10,19-20H,1H2,(H,15,16,21)