NSC212212

Molecular Formula: C23H31FN6O6S2


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

InChIKey: InChIKey=XBRVUAXGHDQTDI-PFQNOWGVCK
SMILES: CCS(=O)(=O)O.CC1=C(C=C(C=C1)NC(=O)CCC2=CC=C(C=C2)N3C(=NC(=NC3(C)C)N)N)S(=O)(=O)F

Names:
    NSC212212
    21321-06-2
    5-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methyl-benzenesulfonyl fluoride; ethanesulfonic acid

Registries:
    PubChem CID 309775
    PubChem ID 127535