| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2c(NCc1ccco1)c4ccccc4nc2Nc3cccc(c3)Cl |
| InChI | InChI | 1.03 | InChI=1S/C19H15ClN4O/c20-13-5-3-6-14(11-13)22-19-23-17-9-2-1-8-16(17)18(24-19)21-12-15-7-4-10-25-15/h1-11H,12H2,(H2,21,22,23,24) |
| InChIKey | InChI | 1.03 | KLRNKMZSARWWTH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc(Nc2nc(NCc3occc3)c4ccccc4n2)c1 |
| SMILES | CACTVS | 3.385 | Clc1cccc(Nc2nc(NCc3occc3)c4ccccc4n2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)c(nc(n2)Nc3cccc(c3)Cl)NCc4ccco4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)c(nc(n2)Nc3cccc(c3)Cl)NCc4ccco4 |
