| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Brc3cc(cc(c2nc1cc(ccc1n2)\C(=[NH2+])N)c3[O-])C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1cc(Br)c([O-])c(c1)c2[nH]c3ccc(cc3n2)C(N)=[NH2+] |
| SMILES | CACTVS | 3.341 | Cc1cc(Br)c([O-])c(c1)c2[nH]c3ccc(cc3n2)C(N)=[NH2+] |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc(c(c(c1)Br)[O-])c2[nH]c3ccc(cc3n2)C(=[NH2+])N |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc(c(c(c1)Br)[O-])c2[nH]c3ccc(cc3n2)C(=[NH2+])N |
| InChI | InChI | 1.03 | InChI=1S/C15H13BrN4O/c1-7-4-9(13(21)10(16)5-7)15-19-11-3-2-8(14(17)18)6-12(11)20-15/h2-6,21H,1H3,(H3,17,18)(H,19,20) |
| InChIKey | InChI | 1.03 | XKCHOMIJYLHXLI-UHFFFAOYSA-N |
