| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Cc1c(C)ncnc1C)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C14H20N4O2/c1-9-12(10(2)17-8-16-9)6-13(19)18-5-3-4-11(7-18)14(15)20/h8,11H,3-7H2,1-2H3,(H2,15,20)/t11-/m0/s1 |
| InChIKey | InChI | 1.06 | YTDTZVUMJMJXOJ-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ncnc(C)c1CC(=O)N2CCC[C@@H](C2)C(N)=O |
| SMILES | CACTVS | 3.385 | Cc1ncnc(C)c1CC(=O)N2CCC[CH](C2)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1c(c(ncn1)C)CC(=O)N2CCC[C@@H](C2)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1c(c(ncn1)C)CC(=O)N2CCCC(C2)C(=O)N |
