NSC212207

Molecular Formula: C23H31FN6O7S2


InChI: InChI=1/C21H25FN6O3S.C2H6O4S/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;3-1-2-7(4,5)6/h4-5,7-10,12H,6,11H2,1-3H3,(H,25,29)(H4,23,24,26,27);3H,1-2H2,(H,4,5,6)/f/h25H,23-24H2;4H

InChIKey: InChIKey=XYNCIAVNBQUCKQ-XCGSACNRCB
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(CS(=O)(=O)O)O

Names:
    NSC212207
    4-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methyl-benzenesulfonyl fluoride; 2-hydroxyethanesulfonic acid

Registries:
    PubChem CID 309769
    PubChem ID 127530