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

Systemtic Name: [2-(2-azanyl-6-methoxy-purin-9-yl)-5-(methoxycarbonyloxymethyl)-4-methylsulfonyloxy-oxolan-3-yl] phenoxysulfanylmethanoate Openeye Name: [2-(2-amino-6-methoxy-purin-9-yl)-5-(methoxycarbonyloxymethyl)-4-methylsulfonyloxy-tetrahydrofuran-3-yl] phenoxysulfanylformate CAS Name: (phenoxythio)formic 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] phenoxysulfanylformate Traditional Name: (phenoxythio)formic acid [2-(2-amino-6-methoxy-purin-9-yl)-5-(carbomethoxyoxymethyl)-4-methylsulfonyloxy-tetrahydrofuran-3-yl] ester Formula: C21H23N5O11S2 MolecularWeight: 585.56422

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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)SOC4=CC=CC=C4)N

Isomeric SMILES

COC1=NC(=NC2=C1N=CN2C3C(C(C(O3)COC(=O)OC)OS(=O)(=O)C)OC(=O)SOC4=CC=CC=C4)N

InChI

InChI=1S/C21H23N5O11S2/c1-31-17-13-16(24-19(22)25-17)26(10-23-13)18-15(35-21(28)38-36-11-7-5-4-6-8-11)14(37-39(3,29)30)12(34-18)9-33-20(27)32-2/h4-8,10,12,14-15,18H,9H2,1-3H3,(H2,22,24,25)