3-[2-oxidanylidene-2-(pyrimidin-2-ylamino)ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-oxidanylidene-2-(pyrimidin-2-ylamino)ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-oxo-2-(2-pyrimidinylamino)ethyl]thio]propanoic acid IUPAC Name: 3-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-keto-2-(2-pyrimidylamino)ethyl]thio]propionic acid Formula: C9H11N3O3S MolecularWeight: 241.26694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NC(=O)CSCCC(=O)O

Isomeric SMILES

C1=CN=C(N=C1)NC(=O)CSCCC(=O)O

InChI

InChI=1S/C9H11N3O3S/c13-7(6-16-5-2-8(14)15)12-9-10-3-1-4-11-9/h1,3-4H,2,5-6H2,(H,14,15)(H,10,11,12,13)