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
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