| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c3(ccc(Nc2c(CCC)nc1ccccn12)cc3)C(=O)NO |
| InChI | InChI | 1.03 | InChI=1S/C17H18N4O2/c1-2-5-14-16(21-11-4-3-6-15(21)19-14)18-13-9-7-12(8-10-13)17(22)20-23/h3-4,6-11,18,23H,2,5H2,1H3,(H,20,22) |
| InChIKey | InChI | 1.03 | RDGVRQVQYOOAEK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCc1nc2ccccn2c1Nc3ccc(cc3)C(=O)NO |
| SMILES | CACTVS | 3.385 | CCCc1nc2ccccn2c1Nc3ccc(cc3)C(=O)NO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCc1c(n2ccccc2n1)Nc3ccc(cc3)C(=O)NO |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCCc1c(n2ccccc2n1)Nc3ccc(cc3)C(=O)NO |
