| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(c2cccc(c1ncccn1)c2)Nc3cccc(c3)c4nnnn4 |
| InChI | InChI | 1.03 | InChI=1S/C18H13N7O/c26-18(14-6-1-4-12(10-14)16-19-8-3-9-20-16)21-15-7-2-5-13(11-15)17-22-24-25-23-17/h1-11H,(H,21,26)(H,22,23,24,25) |
| InChIKey | InChI | 1.03 | WMPLYYWUNLVUAC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O=C(Nc1cccc(c1)c2[nH]nnn2)c3cccc(c3)c4ncccn4 |
| SMILES | CACTVS | 3.370 | O=C(Nc1cccc(c1)c2[nH]nnn2)c3cccc(c3)c4ncccn4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3)c4ncccn4 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3)c4ncccn4 |
