tert-butyl 3-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate Openeye Name: tert-butyl 3-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate CAS Name: 3-[[1-(4-methylsulfonylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]oxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate Traditional Name: 3-[1-(4-mesylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid tert-butyl ester Formula: C22H27N5O5S MolecularWeight: 473.54528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)OC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)OC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C22H27N5O5S/c1-22(2,3)32-21(28)26-11-5-6-16(13-26)31-20-18-12-25-27(19(18)23-14-24-20)15-7-9-17(10-8-15)33(4,29)30/h7-10,12,14,16H,5-6,11,13H2,1-4H3