| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(\NC#N)(NC(C)c1ccccc1)=N\c3c2cccnc2ccc3 |
| InChI | InChI | 1.03 | InChI=1S/C19H17N5/c1-14(15-7-3-2-4-8-15)23-19(22-13-20)24-18-11-5-10-17-16(18)9-6-12-21-17/h2-12,14H,1H3,(H2,22,23,24)/t14-/m1/s1 |
| InChIKey | InChI | 1.03 | PQYCRDPLPKGSME-CQSZACIVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](NC(NC#N)=Nc1cccc2ncccc12)c3ccccc3 |
| SMILES | CACTVS | 3.385 | C[CH](NC(NC#N)=Nc1cccc2ncccc12)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@H](c1ccccc1)N/C(=N/c2cccc3c2cccn3)/NC#N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(c1ccccc1)NC(=Nc2cccc3c2cccn3)NC#N |
