| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(NC)c3nc(c1cccc(c1)c2nnnn2)cnc3N |
| InChI | InChI | 1.03 | InChI=1S/C13H12N8O/c1-15-13(22)10-11(14)16-6-9(17-10)7-3-2-4-8(5-7)12-18-20-21-19-12/h2-6H,1H3,(H2,14,16)(H,15,22)(H,18,19,20,21) |
| InChIKey | InChI | 1.03 | PLUDSXLHMVRUKP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1nc(cnc1N)c2cccc(c2)c3[nH]nnn3 |
| SMILES | CACTVS | 3.385 | CNC(=O)c1nc(cnc1N)c2cccc(c2)c3[nH]nnn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CNC(=O)c1c(ncc(n1)c2cccc(c2)c3[nH]nnn3)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | CNC(=O)c1c(ncc(n1)c2cccc(c2)c3[nH]nnn3)N |
