| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(c3ccc(NCc1nc2c(nc1)nc(nc2N)N)cc3)N4CCC(C(=O)OC)CC4 |
| SMILES_CANONICAL | CACTVS | 3.341 | COC(=O)C1CCN(CC1)C(=O)c2ccc(NCc3cnc4nc(N)nc(N)c4n3)cc2 |
| SMILES | CACTVS | 3.341 | COC(=O)C1CCN(CC1)C(=O)c2ccc(NCc3cnc4nc(N)nc(N)c4n3)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)NCc3cnc4c(n3)c(nc(n4)N)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)NCc3cnc4c(n3)c(nc(n4)N)N |
| InChI | InChI | 1.03 | InChI=1S/C21H24N8O3/c1-32-20(31)13-6-8-29(9-7-13)19(30)12-2-4-14(5-3-12)24-10-15-11-25-18-16(26-15)17(22)27-21(23)28-18/h2-5,11,13,24H,6-10H2,1H3,(H4,22,23,25,27,28) |
| InChIKey | InChI | 1.03 | NYNAFINLHQEHKU-UHFFFAOYSA-N |
