Catalog Number:
AG00ABOF
Chemical Name:
MPS1-IN-3
CAS Number:
1609584-72-6
Molecular Formula:
C26H31N7O4S
Molecular Weight:
537.6338
MDL Number:
MFCD29770810
IUPAC Name:
1-[3-methoxy-4-[[6-(2-propan-2-ylsulfonylanilino)-7H-purin-2-yl]amino]phenyl]piperidin-4-ol
InChI:
InChI=1S/C26H31N7O4S/c1-16(2)38(35,36)22-7-5-4-6-20(22)29-25-23-24(28-15-27-23)31-26(32-25)30-19-9-8-17(14-21(19)37-3)33-12-10-18(34)11-13-33/h4-9,14-16,18,34H,10-13H2,1-3H3,(H3,27,28,29,30,31,32)
InChI Key:
OFRMASLPWOMYHN-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(n1)[nH]cn2)N1CCC(CC1)O
