Analyte Name

Descyano Etravirine Formamide

CAS Number

1706943-59-0

Molecular Formula

C20H17BrN6O2

Molecular Weight

453.3

Accurate Mass

452.06

SMILES

N#CC1=CC=C(NC2=NC(N)=C(Br)C(OC3=C(C)C=C(C(N)=O)C=C3C)=N2)C=C1

InChI

InChI=1S/C20H17BrN6O2/c1-10-7-13(18(24)28)8-11(2)16(10)29-19-15(21)17(23)26-20(27-19)25-14-5-3-12(9-22)4-6-14/h3-8H,1-2H3,(H2,24,28)(H3,23,25,26,27)

IUPAC

4-((6-amino-5-bromo-2-((4-cyanophenyl)amino)pyrimidin-4-yl)oxy)-3,5-dimethylbenzamide

Alternate CAS Number

Parent: 269055-15-4

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat