| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C2c3cccnc3N=C(NC1CN(C(=O)OC(C)(C)C)C1)N2 |
| InChI | InChI | 1.03 | InChI=1S/C15H19N5O3/c1-15(2,3)23-14(22)20-7-9(8-20)17-13-18-11-10(12(21)19-13)5-4-6-16-11/h4-6,9H,7-8H2,1-3H3,(H2,16,17,18,19,21) |
| InChIKey | InChI | 1.03 | CKUDSTVQYFRZJW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)OC(=O)N1CC(C1)NC2=Nc3ncccc3C(=O)N2 |
| SMILES | CACTVS | 3.385 | CC(C)(C)OC(=O)N1CC(C1)NC2=Nc3ncccc3C(=O)N2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(C)(C)OC(=O)N1CC(C1)NC2=Nc3c(cccn3)C(=O)N2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)(C)OC(=O)N1CC(C1)NC2=Nc3c(cccn3)C(=O)N2 |
