2-(6-aminopurin-9-yl)-5-[thian-4-yl(trifluoromethyloxy)methyl]oxolane-3,4-diol

Systemtic Name: 2-(6-aminopurin-9-yl)-5-[thian-4-yl(trifluoromethyloxy)methyl]oxolane-3,4-diol Openeye Name: 2-(6-aminopurin-9-yl)-5-[tetrahydrothiopyran-4-yl(trifluoromethoxy)methyl]tetrahydrofuran-3,4-diol CAS Name: 2-(6-aminopurin-9-yl)-5-[4-thianyl(trifluoromethoxy)methyl]oxolane-3,4-diol IUPAC Name: 2-(6-aminopurin-9-yl)-5-[thian-4-yl(trifluoromethoxy)methyl]oxolane-3,4-diol Traditional Name: 2-adenin-9-yl-5-[tetrahydrothiopyran-4-yl(trifluoromethoxy)methyl]tetrahydrofuran-3,4-diol Formula: C16H20F3N5O4S MolecularWeight: 435.42131

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1C(C2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O)OC(F)(F)F

Isomeric SMILES

C1CSCCC1C(C2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O)OC(F)(F)F

InChI

InChI=1S/C16H20F3N5O4S/c17-16(18,19)28-11(7-1-3-29-4-2-7)12-9(25)10(26)15(27-12)24-6-23-8-13(20)21-5-22-14(8)24/h5-7,9-12,15,25-26H,1-4H2,(H2,20,21,22)