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

Systemtic Name: propan-2-yl 4-[4-(2-cyanophenoxy)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C21H22N6O3 MolecularWeight: 406.43778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O3/c1-14(2)29-21(28)26-9-7-16(8-10-26)27-19-17(12-25-27)20(24-13-23-19)30-18-6-4-3-5-15(18)11-22/h3-6,12-14,16H,7-10H2,1-2H3