| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Cc1cncnc1C#N)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C13H15N5O2/c14-5-11-10(6-16-8-17-11)4-12(19)18-3-1-2-9(7-18)13(15)20/h6,8-9H,1-4,7H2,(H2,15,20)/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | WXXXEMOOVWCNSU-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)[C@H]1CCCN(C1)C(=O)Cc2cncnc2C#N |
| SMILES | CACTVS | 3.385 | NC(=O)[CH]1CCCN(C1)C(=O)Cc2cncnc2C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1c(c(ncn1)C#N)CC(=O)N2CCC[C@@H](C2)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1c(c(ncn1)C#N)CC(=O)N2CCCC(C2)C(=O)N |
