Analyte Name

Ethyl (S)-3-(4-(2-Amino-6-((R)-1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)-2-formamidopropanoate

Molecular Formula

C28H26ClF3N6O4

Molecular Weight

603.0

Accurate Mass

602.17

SMILES

O=C([C@H](CC1=CC=C(C=C1)C2=NC(N)=NC(O[C@@H](C(F)(F)F)C3=CC=C(C=C3N4N=C(C=C4)C)Cl)=C2)NC=O)OCC

InChI

InChI=1S/C28H26ClF3N6O4/c1-3-41-26(40)22(34-15-39)12-17-4-6-18(7-5-17)21-14-24(36-27(33)35-21)42-25(28(30,31)32)20-9-8-19(29)13-23(20)38-11-10-16(2)37-38/h4-11,13-15,22,25H,3,12H2,1-2H3,(H,34,39)(H2,33,35,36)/t22-,25+/m0/s1

IUPAC

Ethyl (S)-3-(4-(2-Amino-6-((R)-1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)-2-formamidopropanoate

Country of Origin

CANADA

Product Format

Neat