azanyl 3-[[3-fluoranyl-4-[4-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]carbonylamino]propanoate

Systemtic Name: azanyl 3-[[3-fluoranyl-4-[4-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]carbonylamino]propanoate Openeye Name: amino 3-[[3-fluoro-4-[4-(pyrimidin-2-ylamino)-1-piperidyl]benzoyl]amino]propanoate CAS Name: 3-[[[3-fluoro-4-[4-(2-pyrimidinylamino)-1-piperidinyl]phenyl]-oxomethyl]amino]propanoic acid amino ester IUPAC Name: amino 3-[[3-fluoro-4-[4-(pyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoate Traditional Name: 3-[[3-fluoro-4-[4-(2-pyrimidylamino)piperidino]benzoyl]amino]propionic acid amino ester Formula: C19H23FN6O3 MolecularWeight: 402.422723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=NC=CC=N2)C3=C(C=C(C=C3)C(=O)NCCC(=O)ON)F

Isomeric SMILES

C1CN(CCC1NC2=NC=CC=N2)C3=C(C=C(C=C3)C(=O)NCCC(=O)ON)F

InChI

InChI=1S/C19H23FN6O3/c20-15-12-13(18(28)22-9-4-17(27)29-21)2-3-16(15)26-10-5-14(6-11-26)25-19-23-7-1-8-24-19/h1-3,7-8,12,14H,4-6,9-11,21H2,(H,22,28)(H,23,24,25)