Catalog Number:
AG00ABS0
Chemical Name:
CHIR-99021 (monohydrochloride)
CAS Number:
1797989-42-4
Molecular Formula:
C22H19Cl3N8
Molecular Weight:
501.7989
MDL Number:
MFCD30489757
IUPAC Name:
6-[2-[[4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]amino]ethylamino]pyridine-3-carbonitrile;hydrochloride
InChI:
InChI=1S/C22H18Cl2N8.ClH/c1-13-10-29-21(31-13)17-12-30-22(32-20(17)16-4-3-15(23)8-18(16)24)27-7-6-26-19-5-2-14(9-25)11-28-19;/h2-5,8,10-12H,6-7H2,1H3,(H,26,28)(H,29,31)(H,27,30,32);1H
InChI Key:
SCQDMKUZHIGAIB-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(nc1)NCCNc1ncc(c(n1)c1ccc(cc1Cl)Cl)c1ncc([nH]1)C.Cl
