Analyte Name

2-[4-[(4-[4-(cyanomethylcarbamoyl)phenyl]pyrimidin-2-yl)amino]-N-formylanilino]ethyl formate

CAS Number

2641608-74-2

Molecular Formula

C23 H20 N6 O4

Molecular Weight

444.4427

Accurate Mass

444.1546

SMILES

O=COCCN(C=O)c1ccc(Nc2nccc(n2)c3ccc(cc3)C(=O)NCC#N)cc1

InChI

InChI=1S/C23H20N6O4/c24-10-12-25-22(32)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29(15-30)13-14-33-16-31/h1-9,11,15-16H,12-14H2,(H,25,32)(H,26,27,28)

IUPAC

2-[4-[[4-[4-(cyanomethylcarbamoyl)phenyl]pyrimidin-2-yl]amino]-N-formylanilino]ethyl formate

Country of Origin

CANADA

Product Format

Neat