| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Nc1nc(cc(c1)C)CCc2cc(cnc2)c3cccc(c3)CNC |
| InChI | InChI | 1.03 | InChI=1S/C21H24N4/c1-15-8-20(25-21(22)9-15)7-6-17-11-19(14-24-13-17)18-5-3-4-16(10-18)12-23-2/h3-5,8-11,13-14,23H,6-7,12H2,1-2H3,(H2,22,25) |
| InChIKey | InChI | 1.03 | MGNVQSKYSZRQCR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCc1cccc(c1)c2cncc(CCc3cc(C)cc(N)n3)c2 |
| SMILES | CACTVS | 3.385 | CNCc1cccc(c1)c2cncc(CCc3cc(C)cc(N)n3)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(nc(c1)N)CCc2cc(cnc2)c3cccc(c3)CNC |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(nc(c1)N)CCc2cc(cnc2)c3cccc(c3)CNC |
