tert-butyl 4-[4-(2-cyanophenoxy)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(2-cyanophenoxy)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(2-cyanophenoxy)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate CAS Name: 4-[4-(2-cyanophenoxy)-1-pyrazolo[3,4-d]pyrimidinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(2-cyanophenoxy)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(2-cyanophenoxy)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H24N6O3 MolecularWeight: 420.46436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)N2C3=C(C=N2)C(=NC=N3)OC4=CC=CC=C4C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N2C3=C(C=N2)C(=NC=N3)OC4=CC=CC=C4C#N

InChI

InChI=1S/C22H24N6O3/c1-22(2,3)31-21(29)27-10-8-16(9-11-27)28-19-17(13-26-28)20(25-14-24-19)30-18-7-5-4-6-15(18)12-23/h4-7,13-14,16H,8-11H2,1-3H3