| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c3ccc(Nc1nc(c(s1)C(=O)c2cccnc2)N)cc3 |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1nc(Nc2ccc(cc2)C(O)=O)sc1C(=O)c3cccnc3 |
| SMILES | CACTVS | 3.370 | Nc1nc(Nc2ccc(cc2)C(O)=O)sc1C(=O)c3cccnc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(cnc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(cnc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C16H12N4O3S/c17-14-13(12(21)10-2-1-7-18-8-10)24-16(20-14)19-11-5-3-9(4-6-11)15(22)23/h1-8H,17H2,(H,19,20)(H,22,23) |
| InChIKey | InChI | 1.03 | GCUAWHJDWUEGRV-UHFFFAOYSA-N |
