| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1N=C(N=C1Cc2ccc3OCOc3c2)Nc4ccccc4 |
| SMILES_CANONICAL | CACTVS | 3.370 | O=C1N=C(Nc2ccccc2)N=C1Cc3ccc4OCOc4c3 |
| SMILES | CACTVS | 3.370 | O=C1N=C(Nc2ccccc2)N=C1Cc3ccc4OCOc4c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)NC2=NC(=O)C(=N2)Cc3ccc4c(c3)OCO4 |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)NC2=NC(=O)C(=N2)Cc3ccc4c(c3)OCO4 |
| InChI | InChI | 1.03 | InChI=1S/C17H13N3O3/c21-16-13(8-11-6-7-14-15(9-11)23-10-22-14)19-17(20-16)18-12-4-2-1-3-5-12/h1-7,9H,8,10H2,(H,18,20,21) |
| InChIKey | InChI | 1.03 | ZDINVWCJHPMIKS-UHFFFAOYSA-N |
