| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | N#Cc4c1C(=O)NC(=Nc1nc4c2ccc3OCOc3c2)N |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=Nc2[nH]c(c3ccc4OCOc4c3)c(C#N)c2C(=O)N1 |
| SMILES | CACTVS | 3.341 | NC1=Nc2[nH]c(c3ccc4OCOc4c3)c(C#N)c2C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1c3c(c4c([nH]3)N=C(NC4=O)N)C#N)OCO2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1c3c(c4c([nH]3)N=C(NC4=O)N)C#N)OCO2 |
| InChI | InChI | 1.03 | InChI=1S/C14H9N5O3/c15-4-7-10-12(18-14(16)19-13(10)20)17-11(7)6-1-2-8-9(3-6)22-5-21-8/h1-3H,5H2,(H4,16,17,18,19,20) |
| InChIKey | InChI | 1.03 | LODZVZHIOMSXPI-UHFFFAOYSA-N |
