Analyte Name

2-((5-chloro-2-(((6S)-6-(4-(2-hydroxyethyl)piperazin-1-yl)-1-methoxy-6,7,8,9-tetrahydro-5H-benzo(7)annulen-2-yl)amino)pyrimidin-4-yl)amino)-N-methylbenzamide

CAS Number

1391712-60-9

Molecular Formula

C30 H38 Cl N7 O3

Molecular Weight

580.121

Accurate Mass

579.272

SMILES

CNC(=O)c1ccccc1Nc2nc(Nc3ccc4C[C@H](CCCc4c3OC)N5CCN(CCO)CC5)ncc2Cl

InChI

InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m0/s1

IUPAC

2-[[5-chloro-2-[[(6S)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]amino]pyrimidin-4-yl]amino]-N-methylbenzamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat