| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OC)c1cc(ccc1Br)Nc2ncnc3c2ccn3 |
| InChI | InChI | 1.03 | InChI=1S/C14H11BrN4O2/c1-21-14(20)10-6-8(2-3-11(10)15)19-13-9-4-5-16-12(9)17-7-18-13/h2-7H,1H3,(H2,16,17,18,19) |
| InChIKey | InChI | 1.03 | YHDDNFHODNKNQV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COC(=O)c1cc(Nc2ncnc3[nH]ccc23)ccc1Br |
| SMILES | CACTVS | 3.370 | COC(=O)c1cc(Nc2ncnc3[nH]ccc23)ccc1Br |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COC(=O)c1cc(ccc1Br)Nc2c3cc[nH]c3ncn2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | COC(=O)c1cc(ccc1Br)Nc2c3cc[nH]c3ncn2 |
