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

Systemtic Name: 3-[[4-[2-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]carbonylamino]propaneperoxoic acid Openeye Name: 3-[[4-[2-(pyrimidin-2-ylamino)-1-piperidyl]benzoyl]amino]propaneperoxoic acid CAS Name: 3-[[oxo-[4-[2-(2-pyrimidinylamino)-1-piperidinyl]phenyl]methyl]amino]propaneperoxoic acid IUPAC Name: 3-[[4-[2-(pyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propaneperoxoic acid Traditional Name: 3-[[4-[2-(2-pyrimidylamino)piperidino]benzoyl]amino]peroxypropionic acid Formula: C19H23N5O4 MolecularWeight: 385.41702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O4/c25-17(28-27)9-12-20-18(26)14-5-7-15(8-6-14)24-13-2-1-4-16(24)23-19-21-10-3-11-22-19/h3,5-8,10-11,16,27H,1-2,4,9,12-13H2,(H,20,26)(H,21,22,23)