2-[4-methyl-2-[2-oxidanylidene-2-(pyrimidin-2-ylamino)ethyl]sulfanyl-1,3-thiazol-5-yl]ethanoic acid

Systemtic Name: 2-[4-methyl-2-[2-oxidanylidene-2-(pyrimidin-2-ylamino)ethyl]sulfanyl-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[4-methyl-2-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]sulfanyl-thiazol-5-yl]acetic acid CAS Name: 2-[4-methyl-2-[[2-oxo-2-(2-pyrimidinylamino)ethyl]thio]-5-thiazolyl]acetic acid IUPAC Name: 2-[4-methyl-2-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]sulfanyl-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-[[2-keto-2-(2-pyrimidylamino)ethyl]thio]-4-methyl-thiazol-5-yl]acetic acid Formula: C12H12N4O3S2 MolecularWeight: 324.37868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SCC(=O)NC2=NC=CC=N2)CC(=O)O

Isomeric SMILES

CC1=C(SC(=N1)SCC(=O)NC2=NC=CC=N2)CC(=O)O

InChI

InChI=1S/C12H12N4O3S2/c1-7-8(5-10(18)19)21-12(15-7)20-6-9(17)16-11-13-3-2-4-14-11/h2-4H,5-6H2,1H3,(H,18,19)(H,13,14,16,17)