NSC210957

Molecular Formula: C₂₀H₂₂N₈O₈

InChI: InChI=1/C14H19N5O.C6H3N3O7/c1-10-12(13(20)19-14(15)18-10)5-3-7-17-9-11-4-2-6-16-8-11;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2,4,6,8,17H,3,5,7,9H2,1H3,(H3,15,18,19,20);1-2,10H/f/h18H,15H2;

InChIKey: InChIKey=SFBYAUROVMMEGL-KLPHVDJZCN
SMILES: CC1=C(C(=O)N=C(N1)N)CCCNCC2=CN=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Names:
    NSC210957
    2-amino-6-methyl-5-[3-(pyridin-3-ylmethylamino)propyl]-1H-pyrimidin-4-one; 2,4,6-trinitrophenol

Registries:
    PubChem CID 308852
    PubChem ID 126579