[(2R,3R,4S)-2-[6-(dimethylamino)purin-9-yl]-3-methylsulfonyloxy-oxan-4-yl] methanesulfonate

Systemtic Name: [(2R,3R,4S)-2-[6-(dimethylamino)purin-9-yl]-3-methylsulfonyloxy-oxan-4-yl] methanesulfonate Openeye Name: [(2R,3R,4S)-2-[6-(dimethylamino)purin-9-yl]-3-methylsulfonyloxy-tetrahydropyran-4-yl] methanesulfonate CAS Name: methanesulfonic acid [(2R,3R,4S)-2-[6-(dimethylamino)-9-purinyl]-3-methylsulfonyloxy-4-oxanyl] ester IUPAC Name: [(2R,3R,4S)-2-[6-(dimethylamino)purin-9-yl]-3-methylsulfonyloxyoxan-4-yl] methanesulfonate Traditional Name: methanesulfonic acid [(2R,3R,4S)-2-[6-(dimethylamino)purin-9-yl]-3-methylsulfonyloxy-tetrahydropyran-4-yl] ester Formula: C14H21N5O7S2 MolecularWeight: 435.47584

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=NC2=C1N=CN2C3C(C(CCO3)OS(=O)(=O)C)OS(=O)(=O)C

Isomeric SMILES

CN(C)C1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@H](CCO3)OS(=O)(=O)C)OS(=O)(=O)C

InChI

InChI=1S/C14H21N5O7S2/c1-18(2)12-10-13(16-7-15-12)19(8-17-10)14-11(26-28(4,22)23)9(5-6-24-14)25-27(3,20)21/h7-9,11,14H,5-6H2,1-4H3/t9-,11+,14+/m0/s1