(1R,2S,3R,5R)-3-(hydroxymethyl)-5-[6-[[(3S)-pyrrolidin-3-yl]-[4-(trifluoromethyl)pyridin-2-yl]amino]purin-9-yl]cyclopentane-1,2-diol

Systemtic Name: (1R,2S,3R,5R)-3-(hydroxymethyl)-5-[6-[[(3S)-pyrrolidin-3-yl]-[4-(trifluoromethyl)pyridin-2-yl]amino]purin-9-yl]cyclopentane-1,2-diol Openeye Name: (1R,2S,3R,5R)-3-(hydroxymethyl)-5-[6-[[(3S)-pyrrolidin-3-yl]-[4-(trifluoromethyl)-2-pyridyl]amino]purin-9-yl]cyclopentane-1,2-diol CAS Name: (1R,2S,3R,5R)-3-(hydroxymethyl)-5-[6-[[(3S)-3-pyrrolidinyl]-[4-(trifluoromethyl)-2-pyridinyl]amino]-9-purinyl]cyclopentane-1,2-diol IUPAC Name: (1R,2S,3R,5R)-3-(hydroxymethyl)-5-[6-[[(3S)-pyrrolidin-3-yl]-[4-(trifluoromethyl)pyridin-2-yl]amino]purin-9-yl]cyclopentane-1,2-diol Traditional Name: (1R,2S,3R,5R)-3-methylol-5-[6-[[(3S)-pyrrolidin-3-yl]-[4-(trifluoromethyl)-2-pyridyl]amino]purin-9-yl]cyclopentane-1,2-diol Formula: C21H24F3N7O3 MolecularWeight: 479.45557

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1N(C2=NC=CC(=C2)C(F)(F)F)C3=NC=NC4=C3N=CN4C5CC(C(C5O)O)CO

Isomeric SMILES

C1CNC[C@H]1N(C2=NC=CC(=C2)C(F)(F)F)C3=NC=NC4=C3N=CN4[C@@H]5C[C@@H]([C@@H]([C@@H]5O)O)CO

InChI

InChI=1S/C21H24F3N7O3/c22-21(23,24)12-1-4-26-15(6-12)31(13-2-3-25-7-13)20-16-19(27-9-28-20)30(10-29-16)14-5-11(8-32)17(33)18(14)34/h1,4,6,9-11,13-14,17-18,25,32-34H,2-3,5,7-8H2/t11-,13+,14-,17+,18-/m1/s1