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

Systemtic Name: 2-[2-oxidanylidene-2-(pyrimidin-2-ylamino)ethyl]sulfanylethanoic acid Openeye Name: 2-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]sulfanylacetic acid CAS Name: 2-[[2-oxo-2-(2-pyrimidinylamino)ethyl]thio]acetic acid IUPAC Name: 2-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]sulfanylacetic acid Traditional Name: 2-[[2-keto-2-(2-pyrimidylamino)ethyl]thio]acetic acid Formula: C8H9N3O3S MolecularWeight: 227.24036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9N3O3S/c12-6(4-15-5-7(13)14)11-8-9-2-1-3-10-8/h1-3H,4-5H2,(H,13,14)(H,9,10,11,12)