| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)c2nn(c3c1nc(ncc1CCc23)Nc4ccccc4)C |
| SMILES_CANONICAL | CACTVS | 3.352 | Cn1nc(C(O)=O)c2CCc3cnc(Nc4ccccc4)nc3c12 |
| SMILES | CACTVS | 3.352 | Cn1nc(C(O)=O)c2CCc3cnc(Nc4ccccc4)nc3c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | Cn1c-2c(c(n1)C(=O)O)CCc3c2nc(nc3)Nc4ccccc4 |
| SMILES | OpenEye OEToolkits | 1.6.1 | Cn1c-2c(c(n1)C(=O)O)CCc3c2nc(nc3)Nc4ccccc4 |
| InChI | InChI | 1.03 | InChI=1S/C17H15N5O2/c1-22-15-12(14(21-22)16(23)24)8-7-10-9-18-17(20-13(10)15)19-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,23,24)(H,18,19,20) |
| InChIKey | InChI | 1.03 | ZOBRPBVIEUWYJR-UHFFFAOYSA-N |
