| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(Nc1cc2c(C)nn(c3ccccn3)c2s1)c1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C18H14N4OS/c1-12-14-11-16(20-17(23)13-7-3-2-4-8-13)24-18(14)22(21-12)15-9-5-6-10-19-15/h2-11H,1H3,(H,20,23) |
| InChIKey | InChI | 1.03 | SDTFXLSMMOZWHK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nn(c2sc(NC(=O)c3ccccc3)cc12)c4ccccn4 |
| SMILES | CACTVS | 3.385 | Cc1nn(c2sc(NC(=O)c3ccccc3)cc12)c4ccccn4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c2cc(sc2n(n1)c3ccccn3)NC(=O)c4ccccc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c2cc(sc2n(n1)c3ccccn3)NC(=O)c4ccccc4 |
