[[3-[4-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]carbonylamino] 2-fluoranylpropanoate

Systemtic Name: [[3-[4-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]carbonylamino] 2-fluoranylpropanoate Openeye Name: [[3-[4-(pyrimidin-2-ylamino)-1-piperidyl]benzoyl]amino] 2-fluoropropanoate CAS Name: 2-fluoropropanoic acid [[oxo-[3-[4-(2-pyrimidinylamino)-1-piperidinyl]phenyl]methyl]amino] ester IUPAC Name: [[3-[4-(pyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino] 2-fluoropropanoate Traditional Name: 2-fluoropropionic acid [[3-[4-(2-pyrimidylamino)piperidino]benzoyl]amino] ester Formula: C19H22FN5O3 MolecularWeight: 387.408083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)ONC(=O)C1=CC(=CC=C1)N2CCC(CC2)NC3=NC=CC=N3)F

Isomeric SMILES

CC(C(=O)ONC(=O)C1=CC(=CC=C1)N2CCC(CC2)NC3=NC=CC=N3)F

InChI

InChI=1S/C19H22FN5O3/c1-13(20)18(27)28-24-17(26)14-4-2-5-16(12-14)25-10-6-15(7-11-25)23-19-21-8-3-9-22-19/h2-5,8-9,12-13,15H,6-7,10-11H2,1H3,(H,24,26)(H,21,22,23)