| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(c1nn(C)cc1NC(=O)c1nc(ccc1Nc1cncnc1)C1CC1)N(C)C |
| InChI | InChI | 1.03 | InChI=1S/C20H22N8O2/c1-27(2)20(30)18-16(10-28(3)26-18)25-19(29)17-15(23-13-8-21-11-22-9-13)7-6-14(24-17)12-4-5-12/h6-12,23H,4-5H2,1-3H3,(H,25,29) |
| InChIKey | InChI | 1.03 | NJOKFSSRVZAHBG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)C(=O)c1nn(C)cc1NC(=O)c2nc(ccc2Nc3cncnc3)C4CC4 |
| SMILES | CACTVS | 3.385 | CN(C)C(=O)c1nn(C)cc1NC(=O)c2nc(ccc2Nc3cncnc3)C4CC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1cc(c(n1)C(=O)N(C)C)NC(=O)c2c(ccc(n2)C3CC3)Nc4cncnc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1cc(c(n1)C(=O)N(C)C)NC(=O)c2c(ccc(n2)C3CC3)Nc4cncnc4 |
