| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1cnccc1C(=O)N(C)C)c1nc(ccc1Nc1cncnc1)C1CC1 |
| InChI | InChI | 1.03 | InChI=1S/C21H21N7O2/c1-28(2)21(30)15-7-8-22-11-18(15)27-20(29)19-17(25-14-9-23-12-24-10-14)6-5-16(26-19)13-3-4-13/h5-13,25H,3-4H2,1-2H3,(H,27,29) |
| InChIKey | InChI | 1.03 | JUNZHJXKKCZELA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)C(=O)c1ccncc1NC(=O)c2nc(ccc2Nc3cncnc3)C4CC4 |
| SMILES | CACTVS | 3.385 | CN(C)C(=O)c1ccncc1NC(=O)c2nc(ccc2Nc3cncnc3)C4CC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)C(=O)c1ccncc1NC(=O)c2c(ccc(n2)C3CC3)Nc4cncnc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)C(=O)c1ccncc1NC(=O)c2c(ccc(n2)C3CC3)Nc4cncnc4 |
