NSC211596

Molecular Formula: C23H31ClFN5O5S2


InChI: InChI=1/C21H25ClFN5O2S.C2H6O3S/c1-21(2)27-19(24)26-20(25)28(21)17-12-15(11-16(22)13-17)6-4-3-5-14-7-9-18(10-8-14)31(23,29)30;1-2-6(3,4)5/h7-13H,3-6H2,1-2H3,(H4,24,25,26,27);2H2,1H3,(H,3,4,5)/f/h24-25H2;3H

InChIKey: InChIKey=CPKJVOLLOLASOX-HDSSYTASCP
SMILES: CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=CC(=C2)CCCCC3=CC=C(C=C3)S(=O)(=O)F)Cl)N)N)C

Names:
    NSC211596
    4-[4-[3-chloro-5-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride; ethanesulfonic acid

Registries:
    PubChem CID 309326
    PubChem ID 127079