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

Systemtic Name: 4-[1-[4-(propan-2-ylamino)phenyl]pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid Openeye Name: 4-[1-[4-(isopropylamino)phenyl]pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid CAS Name: 4-[[1-[4-(propan-2-ylamino)phenyl]-4-pyrazolo[3,4-d]pyrimidinyl]oxy]-1-piperidinecarboxylic acid IUPAC Name: 4-[1-[4-(propan-2-ylamino)phenyl]pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid Traditional Name: 4-[1-[4-(isopropylamino)phenyl]pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid Formula: C20H24N6O3 MolecularWeight: 396.44296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)OC4CCN(CC4)C(=O)O

Isomeric SMILES

CC(C)NC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)OC4CCN(CC4)C(=O)O

InChI

InChI=1S/C20H24N6O3/c1-13(2)24-14-3-5-15(6-4-14)26-18-17(11-23-26)19(22-12-21-18)29-16-7-9-25(10-8-16)20(27)28/h3-6,11-13,16,24H,7-10H2,1-2H3,(H,27,28)