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

Systemtic Name: 4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfinylpiperidine-1-carboxylic acid Openeye Name: 4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfinylpiperidine-1-carboxylic acid CAS Name: 4-[[1-(4-methylsulfonylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]sulfinyl]-1-piperidinecarboxylic acid IUPAC Name: 4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfinylpiperidine-1-carboxylic acid Traditional Name: 4-[1-(4-mesylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfinylpiperidine-1-carboxylic acid Formula: C18H19N5O5S2 MolecularWeight: 449.50396

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)S(=O)C4CCN(CC4)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)S(=O)C4CCN(CC4)C(=O)O

InChI

InChI=1S/C18H19N5O5S2/c1-30(27,28)14-4-2-12(3-5-14)23-16-15(10-21-23)17(20-11-19-16)29(26)13-6-8-22(9-7-13)18(24)25/h2-5,10-11,13H,6-9H2,1H3,(H,24,25)