[2-(2-azanyl-6-methoxy-purin-9-yl)-5-(methoxycarbonyloxymethyl)-4-methylsulfonyloxy-oxolan-3-yl] 3-(trifluoromethyl)benzoate

Systemtic Name: [2-(2-azanyl-6-methoxy-purin-9-yl)-5-(methoxycarbonyloxymethyl)-4-methylsulfonyloxy-oxolan-3-yl] 3-(trifluoromethyl)benzoate Openeye Name: [2-(2-amino-6-methoxy-purin-9-yl)-5-(methoxycarbonyloxymethyl)-4-methylsulfonyloxy-tetrahydrofuran-3-yl] 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)benzoic acid [2-(2-amino-6-methoxy-9-purinyl)-5-(methoxycarbonyloxymethyl)-4-methylsulfonyloxy-3-oxolanyl] ester IUPAC Name: [2-(2-amino-6-methoxypurin-9-yl)-5-(methoxycarbonyloxymethyl)-4-methylsulfonyloxyoxolan-3-yl] 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid [2-(2-amino-6-methoxy-purin-9-yl)-5-(carbomethoxyoxymethyl)-4-methylsulfonyloxy-tetrahydrofuran-3-yl] ester Formula: C22H22F3N5O10S MolecularWeight: 605.49779

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC2=C1N=CN2C3C(C(C(O3)COC(=O)OC)OS(=O)(=O)C)OC(=O)C4=CC(=CC=C4)C(F)(F)F)N

Isomeric SMILES

COC1=NC(=NC2=C1N=CN2C3C(C(C(O3)COC(=O)OC)OS(=O)(=O)C)OC(=O)C4=CC(=CC=C4)C(F)(F)F)N

InChI

InChI=1S/C22H22F3N5O10S/c1-35-17-13-16(28-20(26)29-17)30(9-27-13)18-15(39-19(31)10-5-4-6-11(7-10)22(23,24)25)14(40-41(3,33)34)12(38-18)8-37-21(32)36-2/h4-7,9,12,14-15,18H,8H2,1-3H3,(H2,26,28,29)