NSC211151

Molecular Formula: C23H31FN6O6S2


InChI: InChI=1/C21H25FN6O3S.C2H6O3S/c1-13(18(29)25-15-6-10-17(11-7-15)32(22,30)31)12-14-4-8-16(9-5-14)28-20(24)26-19(23)27-21(28,2)3;1-2-6(3,4)5/h4-11,13H,12H2,1-3H3,(H,25,29)(H4,23,24,26,27);2H2,1H3,(H,3,4,5)/f/h25H,23-24H2;3H

InChIKey: InChIKey=HOWJVMGXEFRANV-PFQNOWGVCR
SMILES: CCS(=O)(=O)O.CC(CC1=CC=C(C=C1)N2C(=NC(=NC2(C)C)N)N)C(=O)NC3=CC=C(C=C3)S(=O)(=O)F

Names:
    NSC211151
    21316-35-8
    4-[[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-2-methyl-propanoyl]amino]benzenesulfonyl fluoride; ethanesulfonic acid

Registries:
    PubChem CID 309009
    PubChem ID 126736