| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Cc1ncncc1Cl)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C12H15ClN4O2/c13-9-5-15-7-16-10(9)4-11(18)17-3-1-2-8(6-17)12(14)19/h5,7-8H,1-4,6H2,(H2,14,19)/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | FLCFQJGWJJRWLD-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)[C@H]1CCCN(C1)C(=O)Cc2ncncc2Cl |
| SMILES | CACTVS | 3.385 | NC(=O)[CH]1CCCN(C1)C(=O)Cc2ncncc2Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1c(c(ncn1)CC(=O)N2CCC[C@@H](C2)C(=O)N)Cl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1c(c(ncn1)CC(=O)N2CCCC(C2)C(=O)N)Cl |
