| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H15N9/c1-11(12-3-4-15-18-5-6-25(15)10-12)26-17-16(22-23-26)19-8-14(21-17)13-7-20-24(2)9-13/h3-11H,1-2H3/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | XYDNMOZJKOGZLS-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](n1nnc2ncc(nc12)c3cnn(C)c3)c4ccc5nccn5c4 |
| SMILES | CACTVS | 3.385 | C[CH](n1nnc2ncc(nc12)c3cnn(C)c3)c4ccc5nccn5c4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | C[C@@H](c1ccc2nccn2c1)n3c4c(ncc(n4)c5cnn(c5)C)nn3 |
| SMILES | OpenEye OEToolkits | 2.0.5 | CC(c1ccc2nccn2c1)n3c4c(ncc(n4)c5cnn(c5)C)nn3 |
