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

Systemtic Name: 2-[6-[(4-bromophenyl)methylsulfanyl]-2-tert-butyl-5-cyano-pyrimidin-4-yl]oxyethanoic acid Openeye Name: 2-[6-[(4-bromophenyl)methylsulfanyl]-2-tert-butyl-5-cyano-pyrimidin-4-yl]oxyacetic acid CAS Name: 2-[[6-[(4-bromophenyl)methylthio]-2-tert-butyl-5-cyano-4-pyrimidinyl]oxy]acetic acid IUPAC Name: 2-[6-[(4-bromophenyl)methylsulfanyl]-2-tert-butyl-5-cyanopyrimidin-4-yl]oxyacetic acid Traditional Name: 2-[6-[(4-bromobenzyl)thio]-2-tert-butyl-5-cyano-pyrimidin-4-yl]oxyacetic acid Formula: C18H18BrN3O3S MolecularWeight: 436.32282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3O3S/c1-18(2,3)17-21-15(25-9-14(23)24)13(8-20)16(22-17)26-10-11-4-6-12(19)7-5-11/h4-7H,9-10H2,1-3H3,(H,23,24)