2-[5-cyano-2-(2,2-dimethylpropyl)-6-methylsulfanyl-pyrimidin-4-yl]oxyethanoic acid

Systemtic Name: 2-[5-cyano-2-(2,2-dimethylpropyl)-6-methylsulfanyl-pyrimidin-4-yl]oxyethanoic acid Openeye Name: 2-[5-cyano-2-(2,2-dimethylpropyl)-6-methylsulfanyl-pyrimidin-4-yl]oxyacetic acid CAS Name: 2-[[5-cyano-2-(2,2-dimethylpropyl)-6-(methylthio)-4-pyrimidinyl]oxy]acetic acid IUPAC Name: 2-[5-cyano-2-(2,2-dimethylpropyl)-6-methylsulfanylpyrimidin-4-yl]oxyacetic acid Traditional Name: 2-[5-cyano-6-(methylthio)-2-neopentyl-pyrimidin-4-yl]oxyacetic acid Formula: C13H17N3O3S MolecularWeight: 295.35738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=NC(=C(C(=N1)SC)C#N)OCC(=O)O

Isomeric SMILES

CC(C)(C)CC1=NC(=C(C(=N1)SC)C#N)OCC(=O)O

InChI

InChI=1S/C13H17N3O3S/c1-13(2,3)5-9-15-11(19-7-10(17)18)8(6-14)12(16-9)20-4/h5,7H2,1-4H3,(H,17,18)