4-[1-[4-(oxolan-2-ylmethylamino)phenyl]pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid

Systemtic Name: 4-[1-[4-(oxolan-2-ylmethylamino)phenyl]pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid Openeye Name: 4-[1-[4-(tetrahydrofuran-2-ylmethylamino)phenyl]pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid CAS Name: 4-[[1-[4-(2-oxolanylmethylamino)phenyl]-4-pyrazolo[3,4-d]pyrimidinyl]oxy]-1-piperidinecarboxylic acid IUPAC Name: 4-[1-[4-(oxolan-2-ylmethylamino)phenyl]pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid Traditional Name: 4-[1-[4-(tetrahydrofurfurylamino)phenyl]pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid Formula: C22H26N6O4 MolecularWeight: 438.47964

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=CC=C(C=C2)N3C4=C(C=N3)C(=NC=N4)OC5CCN(CC5)C(=O)O

Isomeric SMILES

C1CC(OC1)CNC2=CC=C(C=C2)N3C4=C(C=N3)C(=NC=N4)OC5CCN(CC5)C(=O)O

InChI

InChI=1S/C22H26N6O4/c29-22(30)27-9-7-17(8-10-27)32-21-19-13-26-28(20(19)24-14-25-21)16-5-3-15(4-6-16)23-12-18-2-1-11-31-18/h3-6,13-14,17-18,23H,1-2,7-12H2,(H,29,30)