Catalog Number:
AG00GU3M
Chemical Name:
IKK 16
CAS Number:
873225-46-8
Molecular Formula:
C28H29N5OS
Molecular Weight:
483.6278
MDL Number:
MFCD23704180
IUPAC Name:
[4-[[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
InChI:
InChI=1S/C28H29N5OS/c34-27(33-17-12-23(13-18-33)32-15-3-4-16-32)20-7-9-22(10-8-20)30-28-29-14-11-24(31-28)26-19-21-5-1-2-6-25(21)35-26/h1-2,5-11,14,19,23H,3-4,12-13,15-18H2,(H,29,30,31)
InChI Key:
BWZJBXAPRCVCKQ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Nc1nccc(n1)c1cc2c(s1)cccc2)N1CCC(CC1)N1CCCC1
