Spike compound 0000445

Properties Image MNX_ID MNXM527357 reference envipathM:...5c4224913bc9 formula C17H10BrCl2N5O global charge 0 mol weight 451.111 InChIKey SKGIOUHBCKFJRT-UHFFFAOYSA-N InChI InChI=1S/C17H10BrCl2N5O/c1-8-5-9(19)6-10-14(8)22-15(23-17(10)26)12-7-13(18)24-25(12)16-11(20)3-2-4-21-16/h2-7H,1H3,(H,22,23,26) SMILES CC1=CC(Cl)=CC2=C1N=C(C1=CC(Br)=NN1C1=NC=CC=C1Cl)NC2=O MNX internals InChI (mnx) InChI=1/C17H10BrCl2N5O/c1-8-5-9(19)6-10-14(8)22-15(23-17(10)26)12-7-13(18)24-25(12)16-11(20)3-2-4-21-16/h2-7H,1H3,(H,22,23,26) SMILES (mnx) [CH3:1][C:8]1=[CH:5][C:9]([Cl:19])=[CH:6][C:10]2=[C:14]1[N:22]=[C:15]([C:12]1=[CH:7][C:13]([Br:18])=[N:24][N:25]1[C:16]1=[C:11]([Cl:20])[CH:3]=[CH:2][CH:4]=[N:21]1)[N:23]=[C:17]2[OH:26]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0