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

Systemtic Name: 2-[6-[[(3S)-1-[5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl]amino]purin-9-yl]oxolane-3,4-diol Openeye Name: 2-[6-[[(3S)-1-[5-(trifluoromethyl)-2-pyridyl]pyrrolidin-3-yl]amino]purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-[6-[[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]-3-pyrrolidinyl]amino]-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-[6-[[(3S)-1-[5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl]amino]purin-9-yl]oxolane-3,4-diol Traditional Name: 2-[6-[[(3S)-1-[5-(trifluoromethyl)-2-pyridyl]pyrrolidin-3-yl]amino]purin-9-yl]tetrahydrofuran-3,4-diol Formula: C19H20F3N7O3 MolecularWeight: 451.40241

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC2=NC=NC3=C2N=CN3C4C(C(CO4)O)O)C5=NC=C(C=C5)C(F)(F)F

Isomeric SMILES

C1CN(C[C@H]1NC2=NC=NC3=C2N=CN3C4C(C(CO4)O)O)C5=NC=C(C=C5)C(F)(F)F

InChI

InChI=1S/C19H20F3N7O3/c20-19(21,22)10-1-2-13(23-5-10)28-4-3-11(6-28)27-16-14-17(25-8-24-16)29(9-26-14)18-15(31)12(30)7-32-18/h1-2,5,8-9,11-12,15,18,30-31H,3-4,6-7H2,(H,24,25,27)/t11-,12?,15?,18?/m0/s1