(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[2-[4-(hydroxymethyl)pyrazol-1-yl]-6-[[4-(trifluoromethyl)phenyl]amino]purin-9-yl]oxolane-3,4-diol

Systemtic Name: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[2-[4-(hydroxymethyl)pyrazol-1-yl]-6-[[4-(trifluoromethyl)phenyl]amino]purin-9-yl]oxolane-3,4-diol Openeye Name: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[2-[4-(hydroxymethyl)pyrazol-1-yl]-6-[4-(trifluoromethyl)anilino]purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[2-[4-(hydroxymethyl)-1-pyrazolyl]-6-[4-(trifluoromethyl)anilino]-9-purinyl]oxolane-3,4-diol IUPAC Name: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[2-[4-(hydroxymethyl)pyrazol-1-yl]-6-[4-(trifluoromethyl)anilino]purin-9-yl]oxolane-3,4-diol Traditional Name: (2R,3S,4R,5R)-2-methylol-5-[2-(4-methylolpyrazol-1-yl)-6-[4-(trifluoromethyl)anilino]purin-9-yl]tetrahydrofuran-3,4-diol Formula: C21H20F3N7O5 MolecularWeight: 507.42261

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(F)(F)F)NC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)N5C=C(C=N5)CO

Isomeric SMILES

C1=CC(=CC=C1C(F)(F)F)NC2=NC(=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N5C=C(C=N5)CO

InChI

InChI=1S/C21H20F3N7O5/c22-21(23,24)11-1-3-12(4-2-11)27-17-14-18(29-20(28-17)31-6-10(7-32)5-26-31)30(9-25-14)19-16(35)15(34)13(8-33)36-19/h1-6,9,13,15-16,19,32-35H,7-8H2,(H,27,28,29)/t13-,15-,16-,19-/m1/s1