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

Systemtic Name: propan-2-yl 4-[4-(4-acetamidophenoxy)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C22H26N6O4 MolecularWeight: 438.47964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1CCC(CC1)N2C3=C(C=N2)C(=NC=N3)OC4=CC=C(C=C4)NC(=O)C

Isomeric SMILES

CC(C)OC(=O)N1CCC(CC1)N2C3=C(C=N2)C(=NC=N3)OC4=CC=C(C=C4)NC(=O)C

InChI

InChI=1S/C22H26N6O4/c1-14(2)31-22(30)27-10-8-17(9-11-27)28-20-19(12-25-28)21(24-13-23-20)32-18-6-4-16(5-7-18)26-15(3)29/h4-7,12-14,17H,8-11H2,1-3H3,(H,26,29)