[(1S,2R,5R)-2-(6-benzamidopurin-9-yl)-4-(methylsulfonyloxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-4-yl]methyl methanesulfonate

Systemtic Name: [(1S,2R,5R)-2-(6-benzamidopurin-9-yl)-4-(methylsulfonyloxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-4-yl]methyl methanesulfonate Openeye Name: [(1S,2R,5R)-2-(6-benzamidopurin-9-yl)-4-(methylsulfonyloxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-4-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [(1S,2R,5R)-2-(6-benzamido-9-purinyl)-4-(methylsulfonyloxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-4-yl]methyl ester IUPAC Name: [(1S,2R,5R)-2-(6-benzamidopurin-9-yl)-4-(methylsulfonyloxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-4-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [(1S,2R,5R)-2-(6-benzamidopurin-9-yl)-4-(methylsulfonyloxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-4-yl]methyl ester Formula: C20H21N5O9S2 MolecularWeight: 539.53884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCC1(C2C(O2)C(O1)N3C=NC4=C3N=CN=C4NC(=O)C5=CC=CC=C5)COS(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)OCC1([C@H]2[C@H](O2)[C@@H](O1)N3C=NC4=C3N=CN=C4NC(=O)C5=CC=CC=C5)COS(=O)(=O)C

InChI

InChI=1S/C20H21N5O9S2/c1-35(27,28)31-8-20(9-32-36(2,29)30)15-14(33-15)19(34-20)25-11-23-13-16(21-10-22-17(13)25)24-18(26)12-6-4-3-5-7-12/h3-7,10-11,14-15,19H,8-9H2,1-2H3,(H,21,22,24,26)/t14-,15+,19+/m0/s1