| Properties | Image |
|---|
| MNX_ID | MNXM161024 |
 |
| reference | keggD:D10024 |
| formula | C17H17BrClFN4O7S |
| global charge | 0 |
| mol weight | 555.766 |
| InChIKey | GRKFGZYYYYISDX-UHFFFAOYSA-N |
| InChI | InChI=1S/C17H15BrClFN4O3.H2O4S/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19;1-5(2,3)4/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26);(H2,1,2,3,4) |
| SMILES | CN1C=NC2=C(F)C(NC3=C(Cl)C=C(Br)C=C3)=C(C(=O)NOCCO)C=C21.O=S(=O)(O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H15BrClFN4O3.H2O4S/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19;1-5(2,3)4/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26);(H2,1,2,3,4) |
 |
| SMILES (mnx) | [CH3:1][N:24]1[CH:8]=[N:21][C:16]2=[C:13]1[CH:7]=[C:10]([C:17](=[N:23][O:27][CH2:5][CH2:4][OH:25])[OH:26])[C:15]([NH:22][C:12]1=[C:11]([Cl:19])[CH:6]=[C:9]([Br:18])[CH:2]=[CH:3]1)=[C:14]2[F:20].[OH:28][S:32]([OH:29])(=[O:30])=[O:31] |
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