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

Systemtic Name: tert-butyl 3-[[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-[[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate CAS Name: 3-[[1-(4-methylsulfonylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate Traditional Name: 3-[[1-(4-mesylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H26N6O4S MolecularWeight: 458.53394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1)NC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C1)NC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C21H26N6O4S/c1-21(2,3)31-20(28)26-10-9-14(12-26)25-18-17-11-24-27(19(17)23-13-22-18)15-5-7-16(8-6-15)32(4,29)30/h5-8,11,13-14H,9-10,12H2,1-4H3,(H,22,23,25)