| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1ccnn1c1ccccc1)c1nc(ccc1Nc1cncnc1)C1CC1 |
| InChI | InChI | 1.03 | InChI=1S/C22H19N7O/c30-22(28-20-10-11-25-29(20)17-4-2-1-3-5-17)21-19(26-16-12-23-14-24-13-16)9-8-18(27-21)15-6-7-15/h1-5,8-15,26H,6-7H2,(H,28,30) |
| InChIKey | InChI | 1.03 | NDIGSJHLVCILCU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(Nc1ccnn1c2ccccc2)c3nc(ccc3Nc4cncnc4)C5CC5 |
| SMILES | CACTVS | 3.385 | O=C(Nc1ccnn1c2ccccc2)c3nc(ccc3Nc4cncnc4)C5CC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)n2c(ccn2)NC(=O)c3c(ccc(n3)C4CC4)Nc5cncnc5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)n2c(ccn2)NC(=O)c3c(ccc(n3)C4CC4)Nc5cncnc5 |
