4-[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid

Systemtic Name: 4-[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid Openeye Name: 4-[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid CAS Name: 4-[[1-(4-bromophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]oxy]-1-piperidinecarboxylic acid IUPAC Name: 4-[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid Traditional Name: 4-[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid Formula: C17H16BrN5O3 MolecularWeight: 418.24464

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Br)C(=O)O

Isomeric SMILES

C1CN(CCC1OC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Br)C(=O)O

InChI

InChI=1S/C17H16BrN5O3/c18-11-1-3-12(4-2-11)23-15-14(9-21-23)16(20-10-19-15)26-13-5-7-22(8-6-13)17(24)25/h1-4,9-10,13H,5-8H2,(H,24,25)