3-[4-[2-oxidanylidene-2-(pyrimidin-2-ylamino)ethyl]piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-[2-oxidanylidene-2-(pyrimidin-2-ylamino)ethyl]piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[2-oxo-2-(2-pyrimidinylamino)ethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]piperazin-1-yl]propanoic acid Traditional Name: 3-[4-[2-keto-2-(2-pyrimidylamino)ethyl]piperazino]propionic acid Formula: C13H19N5O3 MolecularWeight: 293.32166

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)CC(=O)NC2=NC=CC=N2

Isomeric SMILES

C1CN(CCN1CCC(=O)O)CC(=O)NC2=NC=CC=N2

InChI

InChI=1S/C13H19N5O3/c19-11(16-13-14-3-1-4-15-13)10-18-8-6-17(7-9-18)5-2-12(20)21/h1,3-4H,2,5-10H2,(H,20,21)(H,14,15,16,19)