| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(c2cccc1ncnc12)Nc3cccc(c3)c4nnnn4 |
| InChI | InChI | 1.03 | InChI=1S/C15H11N7O/c23-15(11-5-2-6-12-13(11)17-8-16-12)18-10-4-1-3-9(7-10)14-19-21-22-20-14/h1-8H,(H,16,17)(H,18,23)(H,19,20,21,22) |
| InChIKey | InChI | 1.03 | OUXPKPPPOPWHCW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O=C(Nc1cccc(c1)c2[nH]nnn2)c3cccc4nc[nH]c34 |
| SMILES | CACTVS | 3.370 | O=C(Nc1cccc(c1)c2[nH]nnn2)c3cccc4nc[nH]c34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)NC(=O)c2cccc3c2[nH]cn3)c4[nH]nnn4 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)NC(=O)c2cccc3c2[nH]cn3)c4[nH]nnn4 |
