| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(c2ccc1nncc1c2)Nc3cccc(c3)c4nnnn4 |
| InChI | InChI | 1.03 | InChI=1S/C15H11N7O/c23-15(10-4-5-13-11(6-10)8-16-18-13)17-12-3-1-2-9(7-12)14-19-21-22-20-14/h1-8H,(H,16,18)(H,17,23)(H,19,20,21,22) |
| InChIKey | InChI | 1.03 | UWMWXBXKWPTZOO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O=C(Nc1cccc(c1)c2[nH]nnn2)c3ccc4n[nH]cc4c3 |
| SMILES | CACTVS | 3.370 | O=C(Nc1cccc(c1)c2[nH]nnn2)c3ccc4n[nH]cc4c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)NC(=O)c2ccc3c(c2)c[nH]n3)c4[nH]nnn4 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)NC(=O)c2ccc3c(c2)c[nH]n3)c4[nH]nnn4 |
