Catalog Number:
AG00ABND
Chemical Name:
Centrinone
CAS Number:
1798871-30-3
Molecular Formula:
C26H25F2N7O6S2
Molecular Weight:
633.6468
MDL Number:
MFCD28969654
IUPAC Name:
2-[2-fluoro-4-[(2-fluoro-3-nitrophenyl)methylsulfonyl]phenyl]sulfanyl-5-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-4-amine
InChI:
InChI=1S/C26H25F2N7O6S2/c1-15-12-21(33-32-15)29-24-23(40-2)25(34-8-10-41-11-9-34)31-26(30-24)42-20-7-6-17(13-18(20)27)43(38,39)14-16-4-3-5-19(22(16)28)35(36)37/h3-7,12-13H,8-11,14H2,1-2H3,(H2,29,30,31,32,33)
InChI Key:
HHJSKDRCUMVWKF-UHFFFAOYSA-N
SMILES:
COc1c(nc(nc1N1CCOCC1)Sc1ccc(cc1F)S(=O)(=O)Cc1cccc(c1F)[N+](=O)[O-])Nc1n[nH]c(c1)C
