2-(2-tert-butyl-5-cyano-6-propan-2-ylsulfanyl-pyrimidin-4-yl)oxyethanoic acid

Systemtic Name: 2-(2-tert-butyl-5-cyano-6-propan-2-ylsulfanyl-pyrimidin-4-yl)oxyethanoic acid Openeye Name: 2-(2-tert-butyl-5-cyano-6-isopropylsulfanyl-pyrimidin-4-yl)oxyacetic acid CAS Name: 2-[[2-tert-butyl-5-cyano-6-(propan-2-ylthio)-4-pyrimidinyl]oxy]acetic acid IUPAC Name: 2-(2-tert-butyl-5-cyano-6-propan-2-ylsulfanylpyrimidin-4-yl)oxyacetic acid Traditional Name: 2-[2-tert-butyl-5-cyano-6-(isopropylthio)pyrimidin-4-yl]oxyacetic acid Formula: C14H19N3O3S MolecularWeight: 309.38396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC(=NC(=C1C#N)OCC(=O)O)C(C)(C)C

Isomeric SMILES

CC(C)SC1=NC(=NC(=C1C#N)OCC(=O)O)C(C)(C)C

InChI

InChI=1S/C14H19N3O3S/c1-8(2)21-12-9(6-15)11(20-7-10(18)19)16-13(17-12)14(3,4)5/h8H,7H2,1-5H3,(H,18,19)