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

Systemtic Name: 2-[6-(thian-4-ylamino)purin-9-yl]-5-(trifluoromethyloxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-(tetrahydrothiopyran-4-ylamino)purin-9-yl]-5-(trifluoromethoxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-(4-thianylamino)-9-purinyl]-5-(trifluoromethoxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-(thian-4-ylamino)purin-9-yl]-5-(trifluoromethoxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-(tetrahydrothiopyran-4-ylamino)purin-9-yl]-5-(trifluoromethoxymethyl)tetrahydrofuran-3,4-diol Formula: C16H20F3N5O4S MolecularWeight: 435.42131

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1NC2=NC=NC3=C2N=CN3C4C(C(C(O4)COC(F)(F)F)O)O

Isomeric SMILES

C1CSCCC1NC2=NC=NC3=C2N=CN3C4C(C(C(O4)COC(F)(F)F)O)O

InChI

InChI=1S/C16H20F3N5O4S/c17-16(18,19)27-5-9-11(25)12(26)15(28-9)24-7-22-10-13(20-6-21-14(10)24)23-8-1-3-29-4-2-8/h6-9,11-12,15,25-26H,1-5H2,(H,20,21,23)