4-Ethyl-1-((6-((5-fluoro-4-(4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazol-6-yl)pyrimidin-2-yl)methyl)pyridin-3-yl)methyl)piperazine 1-oxide

Analyte Name

4-Ethyl-1-((6-((5-fluoro-4-(4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazol-6-yl)pyrimidin-2-yl)methyl)pyridin-3-yl)methyl)piperazine 1-oxide

Molecular Formula

C28H33F2N7O

Molecular Weight

521.62

Accurate Mass

521.27

SMILES

CC1=NC2=C(F)C=C(C3=NC(CC4=CC=C(C[N+]5([O-])CCN(CC)CC5)C=N4)=NC=C3F)C=C2N1C(C)C

InChI

InChI=1S/C28H33F2N7O/c1-5-35-8-10-37(38,11-9-35)17-20-6-7-22(31-15-20)14-26-32-16-24(30)27(34-26)21-12-23(29)28-25(13-21)36(18(2)3)19(4)33-28/h6-7,12-13,15-16,18H,5,8-11,14,17H2,1-4H3

IUPAC

4-Ethyl-1-((6-((5-fluoro-4-(4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazol-6-yl)pyrimidin-2-yl)methyl)pyridin-3-yl)methyl)piperazine 1-oxide

Country of Origin

CANADA

Product Format

Neat