NSC211178

Molecular Formula: C32H28FN9O10S


InChI: InChI=1/C26H25FN6O3S.C6H3N3O7/c27-37(35,36)21-10-4-9-19(16-21)25(34)31-20-13-11-17(12-14-20)6-5-15-30-23-22(18-7-2-1-3-8-18)32-26(29)33-24(23)28;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-4,7-14,16,30H,5-6,15H2,(H,31,34)(H4,28,29,32,33);1-2,10H/f/h31H,28-29H2;

InChIKey: InChIKey=DLZRVTHLTSLYRU-AKVUBVGMCP
SMILES: C1=CC=C(C=C1)C2=C(C(=NC(=N2)N)N)NCCCC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)S(=O)(=O)F.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Names:
    NSC211178
    3-[[4-[3-[(2,4-diamino-6-phenyl-pyrimidin-5-yl)amino]propyl]phenyl]carbamoyl]benzenesulfonyl fluoride; 2,4,6-trinitrophenol

Registries:
    PubChem CID 309029
    PubChem ID 126759