| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc4nc(NC1CCCCC1)cc(c3c2cccnc2nc3)c4 |
| InChI | InChI | 1.03 | InChI=1S/C18H19ClN4/c19-16-9-12(15-11-21-18-14(15)7-4-8-20-18)10-17(23-16)22-13-5-2-1-3-6-13/h4,7-11,13H,1-3,5-6H2,(H,20,21)(H,22,23) |
| InChIKey | InChI | 1.03 | JKTMEYXRCJFWAI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Clc1cc(cc(NC2CCCCC2)n1)c3c[nH]c4ncccc34 |
| SMILES | CACTVS | 3.370 | Clc1cc(cc(NC2CCCCC2)n1)c3c[nH]c4ncccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(c[nH]c2nc1)c3cc(nc(c3)Cl)NC4CCCCC4 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(c[nH]c2nc1)c3cc(nc(c3)Cl)NC4CCCCC4 |
