| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=C3C(=C(c1ccc2nccnc2c1)N(N3C)C)c4cccc(c4)COC |
| SMILES_CANONICAL | CACTVS | 3.352 | COCc1cccc(c1)C2=C(N(C)N(C)C2=O)c3ccc4nccnc4c3 |
| SMILES | CACTVS | 3.352 | COCc1cccc(c1)C2=C(N(C)N(C)C2=O)c3ccc4nccnc4c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CN1C(=C(C(=O)N1C)c2cccc(c2)COC)c3ccc4c(c3)nccn4 |
| SMILES | OpenEye OEToolkits | 1.7.0 | CN1C(=C(C(=O)N1C)c2cccc(c2)COC)c3ccc4c(c3)nccn4 |
| InChI | InChI | 1.03 | InChI=1S/C21H20N4O2/c1-24-20(16-7-8-17-18(12-16)23-10-9-22-17)19(21(26)25(24)2)15-6-4-5-14(11-15)13-27-3/h4-12H,13H2,1-3H3 |
| InChIKey | InChI | 1.03 | OWJLLMXRMBEWIM-UHFFFAOYSA-N |
