| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c3cc(c2nc(NC(c1ccccc1)C)c(nc2)N)c(Cl)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C19H17ClN4O2/c1-11(12-5-3-2-4-6-12)23-18-17(21)22-10-16(24-18)14-9-13(19(25)26)7-8-15(14)20/h2-11H,1H3,(H2,21,22)(H,23,24)(H,25,26)/t11-/m1/s1 |
| InChIKey | InChI | 1.03 | NKUNTWSMUIPKSU-LLVKDONJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](Nc1nc(cnc1N)c2cc(ccc2Cl)C(O)=O)c3ccccc3 |
| SMILES | CACTVS | 3.385 | C[CH](Nc1nc(cnc1N)c2cc(ccc2Cl)C(O)=O)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@H](c1ccccc1)Nc2c(ncc(n2)c3cc(ccc3Cl)C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(c1ccccc1)Nc2c(ncc(n2)c3cc(ccc3Cl)C(=O)O)N |
