Catalog Number:
AG00ABPN
Chemical Name:
Centrinone-B
CAS Number:
1798871-31-4
Molecular Formula:
C27H27F2N7O5S2
Molecular Weight:
631.6740
MDL Number:
MFCD29472297
IUPAC Name:
2-[2-fluoro-4-[(2-fluoro-3-nitrophenyl)methylsulfonyl]phenyl]sulfanyl-5-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-1-ylpyrimidin-4-amine
InChI:
InChI=1S/C27H27F2N7O5S2/c1-16-13-22(34-33-16)30-25-24(41-2)26(35-11-4-3-5-12-35)32-27(31-25)42-21-10-9-18(14-19(21)28)43(39,40)15-17-7-6-8-20(23(17)29)36(37)38/h6-10,13-14H,3-5,11-12,15H2,1-2H3,(H2,30,31,32,33,34)
InChI Key:
UPZNTUYHCRQOIQ-UHFFFAOYSA-N
SMILES:
COc1c(nc(nc1N1CCCCC1)Sc1ccc(cc1F)S(=O)(=O)Cc1cccc(c1F)[N+](=O)[O-])Nc1n[nH]c(c1)C
