2-[2-tert-butyl-5-cyano-6-(phenylmethylsulfanyl)pyrimidin-4-yl]oxyethanoic acid

Systemtic Name: 2-[2-tert-butyl-5-cyano-6-(phenylmethylsulfanyl)pyrimidin-4-yl]oxyethanoic acid Openeye Name: 2-(6-benzylsulfanyl-2-tert-butyl-5-cyano-pyrimidin-4-yl)oxyacetic acid CAS Name: 2-[[2-tert-butyl-5-cyano-6-(phenylmethylthio)-4-pyrimidinyl]oxy]acetic acid IUPAC Name: 2-(6-benzylsulfanyl-2-tert-butyl-5-cyanopyrimidin-4-yl)oxyacetic acid Traditional Name: 2-[6-(benzylthio)-2-tert-butyl-5-cyano-pyrimidin-4-yl]oxyacetic acid Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=C(C(=N1)SCC2=CC=CC=C2)C#N)OCC(=O)O

Isomeric SMILES

CC(C)(C)C1=NC(=C(C(=N1)SCC2=CC=CC=C2)C#N)OCC(=O)O

InChI

InChI=1S/C18H19N3O3S/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/h4-8H,10-11H2,1-3H3,(H,22,23)