| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc3cc4c2c1nc(ncc1CCCc2nc4cc3)N |
| InChI | InChI | 1.03 | InChI=1S/C15H13BrN4/c16-9-4-5-11-10(6-9)13-12(19-11)3-1-2-8-7-18-15(17)20-14(8)13/h4-7,19H,1-3H2,(H2,17,18,20) |
| InChIKey | InChI | 1.03 | MEOWHQIIZUZBTO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1ncc2CCCc3[nH]c4ccc(Br)cc4c3c2n1 |
| SMILES | CACTVS | 3.370 | Nc1ncc2CCCc3[nH]c4ccc(Br)cc4c3c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1Br)c-3c([nH]2)CCCc4c3nc(nc4)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1Br)c-3c([nH]2)CCCc4c3nc(nc4)N |
