Catalog Number:
AG008TLQ
Chemical Name:
Defactinib hydrochloride
CAS Number:
1073160-26-5
Molecular Formula:
C20H22ClF3N8O3S
Molecular Weight:
546.9537
MDL Number:
MFCD28144730
IUPAC Name:
N-methyl-4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;hydrochloride
InChI:
InChI=1S/C20H21F3N8O3S.ClH/c1-24-18(32)12-4-6-13(7-5-12)29-19-28-10-14(20(21,22)23)16(30-19)27-11-15-17(26-9-8-25-15)31(2)35(3,33)34;/h4-10H,11H2,1-3H3,(H,24,32)(H2,27,28,29,30);1H
InChI Key:
RCHQNUQAHJNRBY-UHFFFAOYSA-N
SMILES:
CNC(=O)c1ccc(cc1)Nc1ncc(c(n1)NCc1nccnc1N(S(=O)(=O)C)C)C(F)(F)F.Cl
UNII:
L2S469LM49
