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

Systemtic Name: 2-(2-tert-butyl-5-cyano-6-hexylsulfanyl-pyrimidin-4-yl)oxyethanoic acid Openeye Name: 2-(2-tert-butyl-5-cyano-6-hexylsulfanyl-pyrimidin-4-yl)oxyacetic acid CAS Name: 2-[[2-tert-butyl-5-cyano-6-(hexylthio)-4-pyrimidinyl]oxy]acetic acid IUPAC Name: 2-(2-tert-butyl-5-cyano-6-hexylsulfanylpyrimidin-4-yl)oxyacetic acid Traditional Name: 2-[2-tert-butyl-5-cyano-6-(hexylthio)pyrimidin-4-yl]oxyacetic acid Formula: C17H25N3O3S MolecularWeight: 351.4637

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC(=NC(=C1C#N)OCC(=O)O)C(C)(C)C

Isomeric SMILES

CCCCCCSC1=NC(=NC(=C1C#N)OCC(=O)O)C(C)(C)C

InChI

InChI=1S/C17H25N3O3S/c1-5-6-7-8-9-24-15-12(10-18)14(23-11-13(21)22)19-16(20-15)17(2,3)4/h5-9,11H2,1-4H3,(H,21,22)