2-[2-tert-butyl-5-cyano-6-(cyclohexylmethylsulfanyl)pyrimidin-4-yl]oxyethanoate

Systemtic Name: 2-[2-tert-butyl-5-cyano-6-(cyclohexylmethylsulfanyl)pyrimidin-4-yl]oxyethanoate Openeye Name: 2-[2-tert-butyl-5-cyano-6-(cyclohexylmethylsulfanyl)pyrimidin-4-yl]oxyacetate CAS Name: 2-[[2-tert-butyl-5-cyano-6-(cyclohexylmethylthio)-4-pyrimidinyl]oxy]acetate IUPAC Name: 2-[2-tert-butyl-5-cyano-6-(cyclohexylmethylsulfanyl)pyrimidin-4-yl]oxyacetate Traditional Name: 2-[2-tert-butyl-5-cyano-6-(cyclohexylmethylthio)pyrimidin-4-yl]oxyacetate Formula: C18H24N3O3S- MolecularWeight: 362.46646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=C(C(=N1)SCC2CCCCC2)C#N)OCC(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NC(=C(C(=N1)SCC2CCCCC2)C#N)OCC(=O)[O-]

InChI

InChI=1S/C18H25N3O3S/c1-18(2,3)17-20-15(24-10-14(22)23)13(9-19)16(21-17)25-11-12-7-5-4-6-8-12/h12H,4-8,10-11H2,1-3H3,(H,22,23)/p-1