Catalog Number:
AG00A0K2
Chemical Name:
8-chloro-2-phenyl-3-(1-(9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-ylamino)ethyl)isoquinolin-1(2H)-one
CAS Number:
1350643-73-0
Molecular Formula:
C27H25ClN6O2
Molecular Weight:
500.9794
MDL Number:
MFCD30747978
IUPAC Name:
8-chloro-3-[(1S)-1-[[9-(oxan-2-yl)purin-6-yl]amino]ethyl]-2-phenylisoquinolin-1-one
InChI:
InChI=1S/C27H25ClN6O2/c1-17(32-25-24-26(30-15-29-25)33(16-31-24)22-12-5-6-13-36-22)21-14-18-8-7-11-20(28)23(18)27(35)34(21)19-9-3-2-4-10-19/h2-4,7-11,14-17,22H,5-6,12-13H2,1H3,(H,29,30,32)/t17-,22?/m0/s1
InChI Key:
PJQUELCFJJXYHV-LBOXEOMUSA-N
SMILES:
Clc1cccc2c1c(=O)n(c(c2)[C@@H](Nc1ncnc2c1ncn2C1CCCCO1)C)c1ccccc1
