[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] 5-(dimethylamino)naphthalene-1-sulfonate

Systemtic Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] 5-(dimethylamino)naphthalene-1-sulfonate Openeye Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] 5-(dimethylamino)naphthalene-1-sulfonate CAS Name: 5-(dimethylamino)-1-naphthalenesulfonic acid [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] ester IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 5-(dimethylamino)naphthalene-1-sulfonate Traditional Name: 5-(dimethylamino)naphthalene-1-sulfonic acid [(2R,3S,4R,5R)-5-adenin-9-yl-4-hydroxy-2-methylol-tetrahydrofuran-3-yl] ester Formula: C22H24N6O6S MolecularWeight: 500.52756

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)OC3C(OC(C3O)N4C=NC5=C4N=CN=C5N)CO

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=NC5=C4N=CN=C5N)CO

InChI

InChI=1S/C22H24N6O6S/c1-27(2)14-7-3-6-13-12(14)5-4-8-16(13)35(31,32)34-19-15(9-29)33-22(18(19)30)28-11-26-17-20(23)24-10-25-21(17)28/h3-8,10-11,15,18-19,22,29-30H,9H2,1-2H3,(H2,23,24,25)/t15-,18-,19-,22-/m1/s1