| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=S(=O)(c3cc(c1cn2nc(nc2cc1)NC(=O)C)cnc3)C |
| InChI | InChI | 1.03 | InChI=1S/C14H13N5O3S/c1-9(20)16-14-17-13-4-3-10(8-19(13)18-14)11-5-12(7-15-6-11)23(2,21)22/h3-8H,1-2H3,(H,16,18,20) |
| InChIKey | InChI | 1.03 | RCRCKEODQLBHAY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1nn2cc(ccc2n1)c3cncc(c3)[S](C)(=O)=O |
| SMILES | CACTVS | 3.385 | CC(=O)Nc1nn2cc(ccc2n1)c3cncc(c3)[S](C)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(=O)Nc1nc2ccc(cn2n1)c3cc(cnc3)S(=O)(=O)C |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(=O)Nc1nc2ccc(cn2n1)c3cc(cnc3)S(=O)(=O)C |
