9-[(2R,3R,4S,5S)-5-(methylsulfonylmethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one

Systemtic Name: 9-[(2R,3R,4S,5S)-5-(methylsulfonylmethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one Openeye Name: 9-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(methylsulfonylmethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 9-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(methylsulfonylmethyl)-2-oxolanyl]-3H-purin-6-one IUPAC Name: 9-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(methylsulfonylmethyl)oxolan-2-yl]-3H-purin-6-one Traditional Name: 9-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(mesylmethyl)tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C11H14N4O6S MolecularWeight: 330.31706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1C(C(C(O1)N2C=NC3=C2NC=NC3=O)O)O

Isomeric SMILES

CS(=O)(=O)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2NC=NC3=O)O)O

InChI

InChI=1S/C11H14N4O6S/c1-22(19,20)2-5-7(16)8(17)11(21-5)15-4-14-6-9(15)12-3-13-10(6)18/h3-5,7-8,11,16-17H,2H2,1H3,(H,12,13,18)/t5-,7-,8-,11-/m1/s1