| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCC)Nc3c2ncc(c1cnccc1)cc2n(c3)c4ncccc4 |
| InChI | InChI | 1.03 | InChI=1S/C20H18N6O/c1-2-22-20(27)25-16-13-26(18-7-3-4-9-23-18)17-10-15(12-24-19(16)17)14-6-5-8-21-11-14/h3-13H,2H2,1H3,(H2,22,25,27) |
| InChIKey | InChI | 1.03 | FRDSIJNIQUPVHU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCNC(=O)Nc1cn(c2ccccn2)c3cc(cnc13)c4cccnc4 |
| SMILES | CACTVS | 3.385 | CCNC(=O)Nc1cn(c2ccccn2)c3cc(cnc13)c4cccnc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCNC(=O)Nc1cn(c2c1ncc(c2)c3cccnc3)c4ccccn4 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCNC(=O)Nc1cn(c2c1ncc(c2)c3cccnc3)c4ccccn4 |
