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

Systemtic Name: tert-butyl 4-[4-(4-acetamidophenoxy)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(4-acetamidophenoxy)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate CAS Name: 4-[4-(4-acetamidophenoxy)-1-pyrazolo[3,4-d]pyrimidinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(4-acetamidophenoxy)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(4-acetamidophenoxy)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H28N6O4 MolecularWeight: 452.50622

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OC2=NC=NC3=C2C=NN3C4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC2=NC=NC3=C2C=NN3C4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H28N6O4/c1-15(30)27-16-5-7-18(8-6-16)32-21-19-13-26-29(20(19)24-14-25-21)17-9-11-28(12-10-17)22(31)33-23(2,3)4/h5-8,13-14,17H,9-12H2,1-4H3,(H,27,30)