Analyte 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

CAS Number

1137868-52-0

Molecular Formula

C27 H34 F3 N7 O3

Molecular Weight

561.599

Accurate Mass

561.268

SMILES

COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc3ncc4N(C)C(=O)C(F)(F)CN(C5CCCC5)c4n3

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)

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat