NSC211630

Molecular Formula: C22H27FN6O6S2


InChI: InChI=1/C20H21FN6O3S.C2H6O3S/c1-20(2)26-18(22)25-19(23)27(20)15-8-3-13(4-9-15)5-12-17(28)24-14-6-10-16(11-7-14)31(21,29)30;1-2-6(3,4)5/h3-12H,1-2H3,(H,24,28)(H4,22,23,25,26);2H2,1H3,(H,3,4,5)/f/h24H,22-23H2;3H

InChIKey: InChIKey=GABYOSSKKPEFLO-JWQDFEBTCK
SMILES: CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=C(C=C2)C=CC(=O)NC3=CC=C(C=C3)S(=O)(=O)F)N)N)C

Names:
    NSC211630
    21314-27-2
    4-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]prop-2-enoylamino]benzenesulfonyl fluoride; ethanesulfonic acid

Registries:
    PubChem CID 309362
    PubChem ID 127108