1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-4,6-bis(methylsulfanyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid

Systemtic Name: 1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-4,6-bis(methylsulfanyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid Openeye Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4,6-bis(methylsulfanyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid CAS Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-4,6-bis(methylthio)-3-pyrazolo[3,4-d]pyrimidinecarboxylic acid IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,6-bis(methylsulfanyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid Traditional Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-4,6-bis(methylthio)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid Formula: C13H16N4O6S2 MolecularWeight: 388.41934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC2=C1C(=NN2C3C(C(C(O3)CO)O)O)C(=O)O)SC

Isomeric SMILES

CSC1=NC(=NC2=C1C(=NN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C(=O)O)SC

InChI

InChI=1S/C13H16N4O6S2/c1-24-10-5-6(12(21)22)16-17(9(5)14-13(15-10)25-2)11-8(20)7(19)4(3-18)23-11/h4,7-8,11,18-20H,3H2,1-2H3,(H,21,22)/t4-,7-,8-,11-/m1/s1