| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Oc5ccc(c1ccc2c(c1)nnc2c3nc4ccccc4n3)cc5OC |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1cc(ccc1O)c2ccc3c([nH]nc3c4[nH]c5ccccc5n4)c2 |
| SMILES | CACTVS | 3.341 | COc1cc(ccc1O)c2ccc3c([nH]nc3c4[nH]c5ccccc5n4)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1cc(ccc1O)c2ccc3c(c2)[nH]nc3c4[nH]c5ccccc5n4 |
| SMILES | OpenEye OEToolkits | 1.5.0 | COc1cc(ccc1O)c2ccc3c(c2)[nH]nc3c4[nH]c5ccccc5n4 |
| InChI | InChI | 1.03 | InChI=1S/C21H16N4O2/c1-27-19-11-13(7-9-18(19)26)12-6-8-14-17(10-12)24-25-20(14)21-22-15-4-2-3-5-16(15)23-21/h2-11,26H,1H3,(H,22,23)(H,24,25) |
| InChIKey | InChI | 1.03 | GYPHGCGOSZJXOT-UHFFFAOYSA-N |
