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

Systemtic Name: propan-2-yl 4-[4-(4-ethoxy-2-fluoranyl-phenoxy)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate Openeye Name: isopropyl 4-[4-(4-ethoxy-2-fluoro-phenoxy)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate CAS Name: 4-[4-(4-ethoxy-2-fluorophenoxy)-1-pyrazolo[3,4-d]pyrimidinyl]-1-piperidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[4-(4-ethoxy-2-fluorophenoxy)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(4-ethoxy-2-fluoro-phenoxy)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylic acid isopropyl ester Formula: C22H26FN5O4 MolecularWeight: 443.471343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OC2=NC=NC3=C2C=NN3C4CCN(CC4)C(=O)OC(C)C)F

Isomeric SMILES

CCOC1=CC(=C(C=C1)OC2=NC=NC3=C2C=NN3C4CCN(CC4)C(=O)OC(C)C)F

InChI

InChI=1S/C22H26FN5O4/c1-4-30-16-5-6-19(18(23)11-16)32-21-17-12-26-28(20(17)24-13-25-21)15-7-9-27(10-8-15)22(29)31-14(2)3/h5-6,11-15H,4,7-10H2,1-3H3