| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C3C=C(c1nc(nn1)C=2C=C(C#N)NC(=O)C=2)CC(=O)N3 |
| SMILES_CANONICAL | CACTVS | 3.370 | O=C1CC(=CC(=O)N1)c2[nH]nc(n2)C3=CC(=O)NC(=C3)C#N |
| SMILES | CACTVS | 3.370 | O=C1CC(=CC(=O)N1)c2[nH]nc(n2)C3=CC(=O)NC(=C3)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C1C(=CC(=O)NC1=O)c2[nH]nc(n2)C3=CC(=O)NC(=C3)C#N |
| SMILES | OpenEye OEToolkits | 1.7.0 | C1C(=CC(=O)NC1=O)c2[nH]nc(n2)C3=CC(=O)NC(=C3)C#N |
| InChI | InChI | 1.03 | InChI=1S/C13H8N6O3/c14-5-8-1-6(2-9(20)15-8)12-17-13(19-18-12)7-3-10(21)16-11(22)4-7/h1-3H,4H2,(H,15,20)(H,16,21,22)(H,17,18,19) |
| InChIKey | InChI | 1.03 | YUNURAZDMHEFGV-UHFFFAOYSA-N |
