| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(Nc1c(cccc1CC)CC)n5cc4c(N=N/C4=N/C(=O)c2ccc(cc2)N3CCN(C)CC3)c5 |
| InChI | InChI | 1.03 | InChI=1S/C28H31N7O2/c1-4-19-7-6-8-20(5-2)25(19)29-28(37)35-17-23-24(18-35)31-32-26(23)30-27(36)21-9-11-22(12-10-21)34-15-13-33(3)14-16-34/h6-12,17-18H,4-5,13-16H2,1-3H3,(H,29,37)/b30-26+ |
| InChIKey | InChI | 1.03 | WUWKQGPEIAHGLN-URGPHPNLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1cccc(CC)c1NC(=O)n2cc3N=NC(=NC(=O)c4ccc(cc4)N5CCN(C)CC5)c3c2 |
| SMILES | CACTVS | 3.385 | CCc1cccc(CC)c1NC(=O)n2cc3N=NC(=NC(=O)c4ccc(cc4)N5CCN(C)CC5)c3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.5 | CCc1cccc(c1NC(=O)n2cc\3c(c2)N=N/C3=N/C(=O)c4ccc(cc4)N5CCN(CC5)C)CC |
| SMILES | OpenEye OEToolkits | 1.7.5 | CCc1cccc(c1NC(=O)n2cc3c(c2)N=NC3=NC(=O)c4ccc(cc4)N5CCN(CC5)C)CC |
