| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CN(C)CCn1nc(cc1NC(=O)c1nc(ccc1Nc1cncnc1)C1CC1)c1ccccn1 |
| InChI | InChI | 1.03 | InChI=1S/C25H27N9O/c1-33(2)11-12-34-23(13-22(32-34)20-5-3-4-10-28-20)31-25(35)24-21(29-18-14-26-16-27-15-18)9-8-19(30-24)17-6-7-17/h3-5,8-10,13-17,29H,6-7,11-12H2,1-2H3,(H,31,35) |
| InChIKey | InChI | 1.03 | YQBHCXNSRTWRPM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)CCn1nc(cc1NC(=O)c2nc(ccc2Nc3cncnc3)C4CC4)c5ccccn5 |
| SMILES | CACTVS | 3.385 | CN(C)CCn1nc(cc1NC(=O)c2nc(ccc2Nc3cncnc3)C4CC4)c5ccccn5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)CCn1c(cc(n1)c2ccccn2)NC(=O)c3c(ccc(n3)C4CC4)Nc5cncnc5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)CCn1c(cc(n1)c2ccccn2)NC(=O)c3c(ccc(n3)C4CC4)Nc5cncnc5 |
