Catalog Number:
AG000KKY
Chemical Name:
6H-Pyrimido[4,5-b][1,4]benzodiazepin-6-one, 5,11-dihydro-2-[[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino]-11-methyl-
CAS Number:
1234480-46-6
Molecular Formula:
C24H27N7O2
Molecular Weight:
445.5169
MDL Number:
MFCD30742941
IUPAC Name:
2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-11-methyl-5H-pyrimido[4,5-b][1,4]benzodiazepin-6-one
InChI:
InChI=1S/C24H27N7O2/c1-29-10-12-31(13-11-29)16-8-9-18(21(14-16)33-3)27-24-25-15-19-22(28-24)30(2)20-7-5-4-6-17(20)23(32)26-19/h4-9,14-15H,10-13H2,1-3H3,(H,26,32)(H,25,27,28)
InChI Key:
LGLHCXISMKHLIK-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1Nc1ncc2c(n1)n(C)c1ccccc1c(=O)[nH]2)N1CCN(CC1)C
