| Properties | Image |
|---|
| MNX_ID | MNXM1177462 |
 |
| reference | envipathM:...3798f34233b3 |
| formula | C18H11BrN6O3 |
| global charge | 0 |
| mol weight | 439.229 |
| InChIKey | BNFPTUZSVPWZLQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C18H11BrN6O3/c19-14-6-12(25(24-14)17-13(27)2-1-3-21-17)16-22-15-10(8-26)4-9(7-20)5-11(15)18(28)23-16/h1-6,26-27H,8H2,(H,22,23,28) |
| SMILES | N#CC1=CC2=C(N=C(C3=CC(Br)=NN3C3=NC=CC=C3O)NC2=O)C(CO)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C18H11BrN6O3/c19-14-6-12(25(24-14)17-13(27)2-1-3-21-17)16-22-15-10(8-26)4-9(7-20)5-11(15)18(28)23-16/h1-6,26-27H,8H2,(H,22,23,28) |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:13]([OH:27])=[C:17]([N:25]2[C:12]([C:16]3=[N:22][C:15]4=[C:10]([CH2:8][OH:26])[CH:4]=[C:9]([C:7]#[N:20])[CH:5]=[C:11]4[C:18]([OH:28])=[N:23]3)=[CH:6][C:14]([Br:19])=[N:24]2)[N:21]=[CH:3]1 |
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