2,3-bis(fluoranyl)-4-[2-(pyrimidin-2-ylamino)piperidin-1-yl]benzoic acid

Systemtic Name: 2,3-bis(fluoranyl)-4-[2-(pyrimidin-2-ylamino)piperidin-1-yl]benzoic acid Openeye Name: 2,3-difluoro-4-[2-(pyrimidin-2-ylamino)-1-piperidyl]benzoic acid CAS Name: 2,3-difluoro-4-[2-(2-pyrimidinylamino)-1-piperidinyl]benzoic acid IUPAC Name: 2,3-difluoro-4-[2-(pyrimidin-2-ylamino)piperidin-1-yl]benzoic acid Traditional Name: 2,3-difluoro-4-[2-(2-pyrimidylamino)piperidino]benzoic acid Formula: C16H16F2N4O2 MolecularWeight: 334.320646

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)NC2=NC=CC=N2)C3=C(C(=C(C=C3)C(=O)O)F)F

Isomeric SMILES

C1CCN(C(C1)NC2=NC=CC=N2)C3=C(C(=C(C=C3)C(=O)O)F)F

InChI

InChI=1S/C16H16F2N4O2/c17-13-10(15(23)24)5-6-11(14(13)18)22-9-2-1-4-12(22)21-16-19-7-3-8-20-16/h3,5-8,12H,1-2,4,9H2,(H,23,24)(H,19,20,21)