Analyte Name

4-[(2-amino-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl)amino]cyclohexan-1-ol

CAS Number

393856-87-6

Molecular Formula

C18 H19 Cl N4 O

Molecular Weight

342.823

Accurate Mass

342.125

SMILES

Nc1ncc(C#Cc2ccc(Cl)cc2)c(N[C@@H]3CC[C@@H](O)CC3)n1

InChI

InChI=1S/C18H19ClN4O/c19-14-5-2-12(3-6-14)1-4-13-11-21-18(20)23-17(13)22-15-7-9-16(24)10-8-15/h2-3,5-6,11,15-16,24H,7-10H2,(H3,20,21,22,23)/t15-,16-

IUPAC

4-[[2-amino-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]amino]cyclohexan-1-ol

Country of Origin

CANADA

Product Format

Neat