| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c2ncoc2c1ccc(OC)cc1)NCc3ccncc3 |
| InChI | InChI | 1.03 | InChI=1S/C17H15N3O3/c1-22-14-4-2-13(3-5-14)16-15(20-11-23-16)17(21)19-10-12-6-8-18-9-7-12/h2-9,11H,10H2,1H3,(H,19,21) |
| InChIKey | InChI | 1.03 | NDXJIXWTFPGHAI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc(cc1)c2ocnc2C(=O)NCc3ccncc3 |
| SMILES | CACTVS | 3.370 | COc1ccc(cc1)c2ocnc2C(=O)NCc3ccncc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1ccc(cc1)c2c(nco2)C(=O)NCc3ccncc3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | COc1ccc(cc1)c2c(nco2)C(=O)NCc3ccncc3 |
