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

Systemtic Name: methyl 2,3-bis(fluoranyl)-4-[2-(pyrimidin-2-ylamino)piperidin-1-yl]benzoate Openeye Name: methyl 2,3-difluoro-4-[2-(pyrimidin-2-ylamino)-1-piperidyl]benzoate CAS Name: 2,3-difluoro-4-[2-(2-pyrimidinylamino)-1-piperidinyl]benzoic acid methyl ester IUPAC Name: methyl 2,3-difluoro-4-[2-(pyrimidin-2-ylamino)piperidin-1-yl]benzoate Traditional Name: 2,3-difluoro-4-[2-(2-pyrimidylamino)piperidino]benzoic acid methyl ester Formula: C17H18F2N4O2 MolecularWeight: 348.347226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(C=C1)N2CCCCC2NC3=NC=CC=N3)F)F

Isomeric SMILES

COC(=O)C1=C(C(=C(C=C1)N2CCCCC2NC3=NC=CC=N3)F)F

InChI

InChI=1S/C17H18F2N4O2/c1-25-16(24)11-6-7-12(15(19)14(11)18)23-10-3-2-5-13(23)22-17-20-8-4-9-21-17/h4,6-9,13H,2-3,5,10H2,1H3,(H,20,21,22)