| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCC)Nc2sc(c(\C=C\c1cccnc1)n2)c3nccc3 |
| InChI | InChI | 1.03 | InChI=1S/C17H17N5OS/c1-2-19-16(23)22-17-21-14(8-7-12-5-3-9-18-11-12)15(24-17)13-6-4-10-20-13/h3-11,20H,2H2,1H3,(H2,19,21,22,23)/b8-7+ |
| InChIKey | InChI | 1.03 | KXSSNSOHTLLWNT-BQYQJAHWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCNC(=O)Nc1sc(c2[nH]ccc2)c(/C=C/c3cccnc3)n1 |
| SMILES | CACTVS | 3.385 | CCNC(=O)Nc1sc(c2[nH]ccc2)c(C=Cc3cccnc3)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCNC(=O)Nc1nc(c(s1)c2ccc[nH]2)/C=C/c3cccnc3 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCNC(=O)Nc1nc(c(s1)c2ccc[nH]2)C=Cc3cccnc3 |
