2-[6-(2-pyridin-4-ylethylamino)purin-9-yl]-5-(trifluoromethyloxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[6-(2-pyridin-4-ylethylamino)purin-9-yl]-5-(trifluoromethyloxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-[2-(4-pyridyl)ethylamino]purin-9-yl]-5-(trifluoromethoxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-(2-pyridin-4-ylethylamino)-9-purinyl]-5-(trifluoromethoxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-(2-pyridin-4-ylethylamino)purin-9-yl]-5-(trifluoromethoxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-[2-(4-pyridyl)ethylamino]purin-9-yl]-5-(trifluoromethoxymethyl)tetrahydrofuran-3,4-diol Formula: C18H19F3N6O4 MolecularWeight: 440.37647

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CCNC2=NC=NC3=C2N=CN3C4C(C(C(O4)COC(F)(F)F)O)O

Isomeric SMILES

C1=CN=CC=C1CCNC2=NC=NC3=C2N=CN3C4C(C(C(O4)COC(F)(F)F)O)O

InChI

InChI=1S/C18H19F3N6O4/c19-18(20,21)30-7-11-13(28)14(29)17(31-11)27-9-26-12-15(24-8-25-16(12)27)23-6-3-10-1-4-22-5-2-10/h1-2,4-5,8-9,11,13-14,17,28-29H,3,6-7H2,(H,23,24,25)