| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H18ClN7O2/c1-10(2)14-15(23-16-11(6-19)7-22-25(16)17(14)27)12-8-21-24(9-12)4-3-20-13(26)5-18/h7-10,23H,3-5H2,1-2H3,(H,20,26) |
| InChIKey | InChI | 1.03 | TUVMHEGGYLIJHD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C1=C(Nc2n(ncc2C#N)C1=O)c3cnn(CCNC(=O)CCl)c3 |
| SMILES | CACTVS | 3.385 | CC(C)C1=C(Nc2n(ncc2C#N)C1=O)c3cnn(CCNC(=O)CCl)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)C1=C(Nc2c(cnn2C1=O)C#N)c3cnn(c3)CCNC(=O)CCl |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)C1=C(Nc2c(cnn2C1=O)C#N)c3cnn(c3)CCNC(=O)CCl |
