| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(N)nc2c(c1N)nc(c(n2)N)c3cccc(c3)Br |
| InChI | InChI | 1.03 | InChI=1S/C12H10BrN7/c13-6-3-1-2-5(4-6)7-9(14)18-11-8(17-7)10(15)19-12(16)20-11/h1-4H,(H6,14,15,16,18,19,20) |
| InChIKey | InChI | 1.03 | UWFFWZGQGRBIBG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc(N)c2nc(c(N)nc2n1)c3cccc(Br)c3 |
| SMILES | CACTVS | 3.385 | Nc1nc(N)c2nc(c(N)nc2n1)c3cccc(Br)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(cc(c1)Br)c2c(nc3c(n2)c(nc(n3)N)N)N |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(cc(c1)Br)c2c(nc3c(n2)c(nc(n3)N)N)N |
