| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H19BrN6S/c1-11-3-5-12(6-4-11)20-17-22-15(21-16(19)23-17)10-24(2)9-13-7-8-14(18)25-13/h3-8H,9-10H2,1-2H3,(H3,19,20,21,22,23) |
| InChIKey | InChI | 1.06 | SDRWRCFYVVTRSA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(Cc1sc(Br)cc1)Cc2nc(N)nc(Nc3ccc(C)cc3)n2 |
| SMILES | CACTVS | 3.385 | CN(Cc1sc(Br)cc1)Cc2nc(N)nc(Nc3ccc(C)cc3)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc(cc1)Nc2nc(nc(n2)N)CN(C)Cc3ccc(s3)Br |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc(cc1)Nc2nc(nc(n2)N)CN(C)Cc3ccc(s3)Br |
