| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | CC(C)n1ccc(NC(=O)c2nc(C)ccc2Nc2cncnc2)n1 |
| InChI | InChI | 1.03 | InChI=1S/C17H19N7O/c1-11(2)24-7-6-15(23-24)22-17(25)16-14(5-4-12(3)20-16)21-13-8-18-10-19-9-13/h4-11,21H,1-3H3,(H,22,23,25) |
| InChIKey | InChI | 1.03 | STOYVUDXBUTBHU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)n1ccc(NC(=O)c2nc(C)ccc2Nc3cncnc3)n1 |
| SMILES | CACTVS | 3.385 | CC(C)n1ccc(NC(=O)c2nc(C)ccc2Nc3cncnc3)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(n1)C(=O)Nc2ccn(n2)C(C)C)Nc3cncnc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(n1)C(=O)Nc2ccn(n2)C(C)C)Nc3cncnc3 |
