Catalog Number:
AG00ABTA
Chemical Name:
Sr-3029
CAS Number:
1454585-06-8
Molecular Formula:
C23H19F3N8O
Molecular Weight:
480.4452
MDL Number:
MFCD30187527
IUPAC Name:
N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3-fluorophenyl)-2-morpholin-4-ylpurin-6-amine
InChI:
InChI=1S/C23H19F3N8O/c24-13-2-1-3-14(10-13)34-12-28-20-21(31-23(32-22(20)34)33-6-8-35-9-7-33)27-11-17-29-16-5-4-15(25)18(26)19(16)30-17/h1-5,10,12H,6-9,11H2,(H,29,30)(H,27,31,32)
InChI Key:
CEBMEQPREMCWOL-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)n1cnc2c1nc(nc2NCc1[nH]c2c(n1)ccc(c2F)F)N1CCOCC1
