| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H14N6O/c19-9-14-16(22-23-17(14)20)12-4-3-11-5-7-24(15(11)8-12)10-13-2-1-6-21-18(13)25/h1-8H,10H2,(H,21,25)(H3,20,22,23) |
| InChIKey | InChI | 1.03 | RTLAMMYDMUSFRK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1[nH]nc(c2ccc3ccn(Cc4cccnc4O)c3c2)c1C#N |
| SMILES | CACTVS | 3.385 | Nc1[nH]nc(c2ccc3ccn(Cc4cccnc4O)c3c2)c1C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(nc1)O)Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(nc1)O)Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N |
