| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(N)c4nn(c3c2nc(/N=C1\C=CCC=C1)ncc2CCc34)CC5CCNCC5 |
| SMILES_CANONICAL | CACTVS | 3.352 | NC(=O)c1nn(CC2CCNCC2)c3c1CCc4cnc(N=C5C=CCC=C5)nc34 |
| SMILES | CACTVS | 3.352 | NC(=O)c1nn(CC2CCNCC2)c3c1CCc4cnc(N=C5C=CCC=C5)nc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1c2c(nc(n1)N=C3C=CCC=C3)-c4c(c(nn4CC5CCNCC5)C(=O)N)CC2 |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1c2c(nc(n1)N=C3C=CCC=C3)-c4c(c(nn4CC5CCNCC5)C(=O)N)CC2 |
| InChI | InChI | 1.03 | InChI=1S/C22H25N7O/c23-21(30)19-17-7-6-15-12-25-22(26-16-4-2-1-3-5-16)27-18(15)20(17)29(28-19)13-14-8-10-24-11-9-14/h2-5,12,14,24H,1,6-11,13H2,(H2,23,30) |
| InChIKey | InChI | 1.03 | NJZDNEMNAJYOMW-UHFFFAOYSA-N |
