| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Oc1cccc(c1C)C(=O)NC1CCC(CC1)NC(=O)c1nc2nccn2cc1 |
| InChI | InChI | 1.06 | InChI=1S/C21H23N5O3/c1-13-16(3-2-4-18(13)27)19(28)23-14-5-7-15(8-6-14)24-20(29)17-9-11-26-12-10-22-21(26)25-17/h2-4,9-12,14-15,27H,5-8H2,1H3,(H,23,28)(H,24,29)/t14-,15+ |
| InChIKey | InChI | 1.06 | UJXBFTGIOPBZIW-GASCZTMLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1c(O)cccc1C(=O)N[C@@H]2CC[C@@H](CC2)NC(=O)c3ccn4ccnc4n3 |
| SMILES | CACTVS | 3.385 | Cc1c(O)cccc1C(=O)N[CH]2CC[CH](CC2)NC(=O)c3ccn4ccnc4n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1c(cccc1O)C(=O)NC2CCC(CC2)NC(=O)c3ccn4ccnc4n3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1c(cccc1O)C(=O)NC2CCC(CC2)NC(=O)c3ccn4ccnc4n3 |
