| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H16ClN5/c22-21-19(17-8-4-5-9-18(17)24-21)20-15(12-26-11-10-23-14-26)13-27(25-20)16-6-2-1-3-7-16/h1-11,13-14,24H,12H2 |
| InChIKey | InChI | 1.03 | RNSBGQRYBQOSEQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1[nH]c2ccccc2c1c3nn(cc3Cn4ccnc4)c5ccccc5 |
| SMILES | CACTVS | 3.385 | Clc1[nH]c2ccccc2c1c3nn(cc3Cn4ccnc4)c5ccccc5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)n2cc(c(n2)c3c4ccccc4[nH]c3Cl)Cn5ccnc5 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)n2cc(c(n2)c3c4ccccc4[nH]c3Cl)Cn5ccnc5 |
