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

Systemtic Name: [(2R,3R,4R)-4-azido-2-[6-(dimethylamino)purin-9-yl]oxan-3-yl] methanesulfonate Openeye Name: [(2R,3R,4R)-4-azido-2-[6-(dimethylamino)purin-9-yl]tetrahydropyran-3-yl] methanesulfonate CAS Name: methanesulfonic acid [(2R,3R,4R)-4-azido-2-[6-(dimethylamino)-9-purinyl]-3-oxanyl] ester IUPAC Name: [(2R,3R,4R)-4-azido-2-[6-(dimethylamino)purin-9-yl]oxan-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [(2R,3R,4R)-4-azido-2-[6-(dimethylamino)purin-9-yl]tetrahydropyran-3-yl] ester Formula: C13H18N8O4S MolecularWeight: 382.39822

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=NC2=C1N=CN2C3C(C(CCO3)N=[N+]=[N-])OS(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C13H18N8O4S/c1-20(2)11-9-12(16-6-15-11)21(7-17-9)13-10(25-26(3,22)23)8(18-19-14)4-5-24-13/h6-8,10,13H,4-5H2,1-3H3/t8-,10-,13-/m1/s1