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

Systemtic Name: 4-[1-(2-fluoranyl-4-iodanyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid Openeye Name: 4-[1-(2-fluoro-4-iodo-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid CAS Name: 4-[[1-(2-fluoro-4-iodophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]oxy]-1-piperidinecarboxylic acid IUPAC Name: 4-[1-(2-fluoro-4-iodophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid Traditional Name: 4-[1-(2-fluoro-4-iodo-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid Formula: C17H15FIN5O3 MolecularWeight: 483.235573

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=NC=NC3=C2C=NN3C4=C(C=C(C=C4)I)F)C(=O)O

Isomeric SMILES

C1CN(CCC1OC2=NC=NC3=C2C=NN3C4=C(C=C(C=C4)I)F)C(=O)O

InChI

InChI=1S/C17H15FIN5O3/c18-13-7-10(19)1-2-14(13)24-15-12(8-22-24)16(21-9-20-15)27-11-3-5-23(6-4-11)17(25)26/h1-2,7-9,11H,3-6H2,(H,25,26)