| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc1cccc(c1)C3n4nnnc4NC(c2cccc(Br)c2)C3 |
| InChI | InChI | 1.03 | InChI=1S/C16H13Br2N5/c17-12-5-1-3-10(7-12)14-9-15(11-4-2-6-13(18)8-11)23-16(19-14)20-21-22-23/h1-8,14-15H,9H2,(H,19,20,22)/t14-,15+/m0/s1 |
| InChIKey | InChI | 1.03 | JHRYBPMSBXHLJL-LSDHHAIUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1cccc(c1)[C@@H]2C[C@@H](n3nnnc3N2)c4cccc(Br)c4 |
| SMILES | CACTVS | 3.385 | Brc1cccc(c1)[CH]2C[CH](n3nnnc3N2)c4cccc(Br)c4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)Br)[C@@H]2C[C@@H](n3c(nnn3)N2)c4cccc(c4)Br |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)Br)C2CC(n3c(nnn3)N2)c4cccc(c4)Br |
