| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | Brc1cccc(c1)C(=O)Nc2cccc(c2)c3nnnn3 |
| InChI | InChI | 1.03 | InChI=1S/C14H10BrN5O/c15-11-5-1-4-10(7-11)14(21)16-12-6-2-3-9(8-12)13-17-19-20-18-13/h1-8H,(H,16,21)(H,17,18,19,20) |
| InChIKey | InChI | 1.03 | HXGCQRJRUHDKKD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Brc1cccc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3 |
| SMILES | CACTVS | 3.370 | Brc1cccc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)NC(=O)c2cccc(c2)Br)c3[nH]nnn3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)NC(=O)c2cccc(c2)Br)c3[nH]nnn3 |
