2-[2-oxidanylidene-2-(pyrimidin-2-ylamino)ethyl]sulfanylpropanoic acid

Systemtic Name: 2-[2-oxidanylidene-2-(pyrimidin-2-ylamino)ethyl]sulfanylpropanoic acid Openeye Name: 2-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]sulfanylpropanoic acid CAS Name: 2-[[2-oxo-2-(2-pyrimidinylamino)ethyl]thio]propanoic acid IUPAC Name: 2-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]sulfanylpropanoic acid Traditional Name: 2-[[2-keto-2-(2-pyrimidylamino)ethyl]thio]propionic acid Formula: C9H11N3O3S MolecularWeight: 241.26694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC(=O)NC1=NC=CC=N1

Isomeric SMILES

CC(C(=O)O)SCC(=O)NC1=NC=CC=N1

InChI

InChI=1S/C9H11N3O3S/c1-6(8(14)15)16-5-7(13)12-9-10-3-2-4-11-9/h2-4,6H,5H2,1H3,(H,14,15)(H,10,11,12,13)