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

Systemtic Name: acetamido 3-[[3-[4-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]carbonylamino]propanoate Openeye Name: acetamido 3-[[3-[4-(pyrimidin-2-ylamino)-1-piperidyl]benzoyl]amino]propanoate CAS Name: 3-[[oxo-[3-[4-(2-pyrimidinylamino)-1-piperidinyl]phenyl]methyl]amino]propanoic acid acetamido ester IUPAC Name: acetamido 3-[[3-[4-(pyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoate Traditional Name: 3-[[3-[4-(2-pyrimidylamino)piperidino]benzoyl]amino]propionic acid acetamido ester Formula: C21H26N6O4 MolecularWeight: 426.46894

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NOC(=O)CCNC(=O)C1=CC(=CC=C1)N2CCC(CC2)NC3=NC=CC=N3

Isomeric SMILES

CC(=O)NOC(=O)CCNC(=O)C1=CC(=CC=C1)N2CCC(CC2)NC3=NC=CC=N3

InChI

InChI=1S/C21H26N6O4/c1-15(28)26-31-19(29)6-11-22-20(30)16-4-2-5-18(14-16)27-12-7-17(8-13-27)25-21-23-9-3-10-24-21/h2-5,9-10,14,17H,6-8,11-13H2,1H3,(H,22,30)(H,26,28)(H,23,24,25)