Catalog Number:
AG0009NT
Chemical Name:
Tak-960
CAS Number:
1137868-52-0
Molecular Formula:
C27H34F3N7O3
Molecular Weight:
561.5992
MDL Number:
MFCD22420821
IUPAC Name:
4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide
InChI:
InChI=1S/C27H34F3N7O3/c1-35-10-8-16(9-11-35)32-24(38)18-12-22(40-3)20(13-19(18)28)33-26-31-14-21-23(34-26)37(17-6-4-5-7-17)15-27(29,30)25(39)36(21)2/h12-14,16-17H,4-11,15H2,1-3H3,(H,32,38)(H,31,33,34)
InChI Key:
GWRSATNRNFYMDI-UHFFFAOYSA-N
SMILES:
COc1cc(C(=O)NC2CCN(CC2)C)c(cc1Nc1ncc2c(n1)N(CC(C(=O)N2C)(F)F)C1CCCC1)F
