| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H20ClN5O/c1-14(2)28-19-10-17(22)9-8-16(19)12-23-20-11-18(15-6-4-3-5-7-15)26-21-24-13-25-27(20)21/h3-11,13-14,23H,12H2,1-2H3 |
| InChIKey | InChI | 1.06 | WBYNZQXAAWPAGR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)Oc1cc(Cl)ccc1CNc2cc(nc3ncnn23)c4ccccc4 |
| SMILES | CACTVS | 3.385 | CC(C)Oc1cc(Cl)ccc1CNc2cc(nc3ncnn23)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)Oc1cc(ccc1CNc2cc(nc3n2ncn3)c4ccccc4)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)Oc1cc(ccc1CNc2cc(nc3n2ncn3)c4ccccc4)Cl |
