| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C1NCCC1Nc1ncnc2[NH]c3ccccc3c12 |
| InChI | InChI | 1.06 | InChI=1S/C14H13N5O/c20-14-10(5-6-15-14)19-13-11-8-3-1-2-4-9(8)18-12(11)16-7-17-13/h1-4,7,10H,5-6H2,(H,15,20)(H2,16,17,18,19)/t10-/m1/s1 |
| InChIKey | InChI | 1.06 | HWDLKFWYSHVMHZ-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NCC[C@H]1Nc2ncnc3[nH]c4ccccc4c23 |
| SMILES | CACTVS | 3.385 | O=C1NCC[CH]1Nc2ncnc3[nH]c4ccccc4c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)c3c([nH]2)ncnc3N[C@@H]4CCNC4=O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)c3c([nH]2)ncnc3NC4CCNC4=O |
