2-(hydroxymethyl)-5-[6-(methoxyamino)-2-[2-[3-(trifluoromethyl)phenyl]ethynyl]purin-9-yl]oxolane-3,4-diol

Systemtic Name: 2-(hydroxymethyl)-5-[6-(methoxyamino)-2-[2-[3-(trifluoromethyl)phenyl]ethynyl]purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(hydroxymethyl)-5-[6-(methoxyamino)-2-[2-[3-(trifluoromethyl)phenyl]ethynyl]purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[6-(methoxyamino)-2-[2-[3-(trifluoromethyl)phenyl]ethynyl]-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(hydroxymethyl)-5-[6-(methoxyamino)-2-[2-[3-(trifluoromethyl)phenyl]ethynyl]purin-9-yl]oxolane-3,4-diol Traditional Name: 2-[6-(methoxyamino)-2-[2-[3-(trifluoromethyl)phenyl]ethynyl]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C20H18F3N5O5 MolecularWeight: 465.38263

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Descriptors Computed from Structure

Canonical SMILES:

CONC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)C#CC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

CONC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)C#CC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C20H18F3N5O5/c1-32-27-17-14-18(28(9-24-14)19-16(31)15(30)12(8-29)33-19)26-13(25-17)6-5-10-3-2-4-11(7-10)20(21,22)23/h2-4,7,9,12,15-16,19,29-31H,8H2,1H3,(H,25,26,27)