propan-2-yl 4-[[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate

Systemtic Name: propan-2-yl 4-[[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate Openeye Name: isopropyl 4-[[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[1-(4-methylsulfonylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]-1-piperidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[1-(4-mesylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid isopropyl ester Formula: C21H26N6O4S MolecularWeight: 458.53394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1CCC(CC1)NC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC(C)OC(=O)N1CCC(CC1)NC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C21H26N6O4S/c1-14(2)31-21(28)26-10-8-15(9-11-26)25-19-18-12-24-27(20(18)23-13-22-19)16-4-6-17(7-5-16)32(3,29)30/h4-7,12-15H,8-11H2,1-3H3,(H,22,23,25)