| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | COc1ncc(nc1C(=O)NCCc1nc(n[NH]1)c1cnccc1)C1CC1 |
| InChI | InChI | 1.03 | InChI=1S/C18H19N7O2/c1-27-18-15(22-13(10-21-18)11-4-5-11)17(26)20-8-6-14-23-16(25-24-14)12-3-2-7-19-9-12/h2-3,7,9-11H,4-6,8H2,1H3,(H,20,26)(H,23,24,25) |
| InChIKey | InChI | 1.03 | HRLMKMIYCGADFK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ncc(nc1C(=O)NCCc2[nH]nc(n2)c3cccnc3)C4CC4 |
| SMILES | CACTVS | 3.385 | COc1ncc(nc1C(=O)NCCc2[nH]nc(n2)c3cccnc3)C4CC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1c(nc(cn1)C2CC2)C(=O)NCCc3[nH]nc(n3)c4cccnc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1c(nc(cn1)C2CC2)C(=O)NCCc3[nH]nc(n3)c4cccnc4 |
