2-(6-aminopurin-9-yl)-5-[3-pyridin-4-yl-1-(trifluoromethyloxy)propyl]oxolane-3,4-diol

Systemtic Name: 2-(6-aminopurin-9-yl)-5-[3-pyridin-4-yl-1-(trifluoromethyloxy)propyl]oxolane-3,4-diol Openeye Name: 2-(6-aminopurin-9-yl)-5-[3-(4-pyridyl)-1-(trifluoromethoxy)propyl]tetrahydrofuran-3,4-diol CAS Name: 2-(6-aminopurin-9-yl)-5-[3-pyridin-4-yl-1-(trifluoromethoxy)propyl]oxolane-3,4-diol IUPAC Name: 2-(6-aminopurin-9-yl)-5-[3-pyridin-4-yl-1-(trifluoromethoxy)propyl]oxolane-3,4-diol Traditional Name: 2-adenin-9-yl-5-[3-(4-pyridyl)-1-(trifluoromethoxy)propyl]tetrahydrofuran-3,4-diol Formula: C18H19F3N6O4 MolecularWeight: 440.37647

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CCC(C2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O)OC(F)(F)F

Isomeric SMILES

C1=CN=CC=C1CCC(C2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O)OC(F)(F)F

InChI

InChI=1S/C18H19F3N6O4/c19-18(20,21)31-10(2-1-9-3-5-23-6-4-9)14-12(28)13(29)17(30-14)27-8-26-11-15(22)24-7-25-16(11)27/h3-8,10,12-14,17,28-29H,1-2H2,(H2,22,24,25)