3-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypyrrolidine-1-carboxylic acid

Systemtic Name: 3-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypyrrolidine-1-carboxylic acid Openeye Name: 3-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypyrrolidine-1-carboxylic acid CAS Name: 3-[[1-(4-methylsulfonylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]oxy]-1-pyrrolidinecarboxylic acid IUPAC Name: 3-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypyrrolidine-1-carboxylic acid Traditional Name: 3-[1-(4-mesylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypyrrolidine-1-carboxylic acid Formula: C17H17N5O5S MolecularWeight: 403.41238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)OC4CCN(C4)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)OC4CCN(C4)C(=O)O

InChI

InChI=1S/C17H17N5O5S/c1-28(25,26)13-4-2-11(3-5-13)22-15-14(8-20-22)16(19-10-18-15)27-12-6-7-21(9-12)17(23)24/h2-5,8,10,12H,6-7,9H2,1H3,(H,23,24)