NSC212217

Molecular Formula: C23H29FN6O8S2


InChI: InChI=1/C21H25FN6O3S.C2H4O5S/c1-13-12-15(7-10-17(13)32(22,30)31)25-18(29)11-6-14-4-8-16(9-5-14)28-20(24)26-19(23)27-21(28,2)3;3-2(4)1-8(5,6)7/h4-5,7-10,12H,6,11H2,1-3H3,(H,25,29)(H4,23,24,26,27);1H2,(H,3,4)(H,5,6,7)/f/h25H,23-24H2;3,5H

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

Names:
    NSC212217
    4-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methyl-benzenesulfonyl fluoride; 2-sulfoacetic acid

Registries:
    PubChem CID 309780
    PubChem ID 127539