| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1ccccc1Nc2nc(ncc2)Nc3ccc(C(=O)O)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C18H14N4O4/c23-16(24)11-5-7-12(8-6-11)20-18-19-10-9-15(22-18)21-14-4-2-1-3-13(14)17(25)26/h1-10H,(H,23,24)(H,25,26)(H2,19,20,21,22) |
| InChIKey | InChI | 1.03 | UIAQHDUGAOFVJM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1ccc(Nc2nccc(Nc3ccccc3C(O)=O)n2)cc1 |
| SMILES | CACTVS | 3.370 | OC(=O)c1ccc(Nc2nccc(Nc3ccccc3C(O)=O)n2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)C(=O)O)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)C(=O)O)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O |
