| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | N/C(c4ccc3nc(c2nc(C1(CCCCC1)O)ccc2)cc3c4)=N |
| InChI | InChI | 1.03 | InChI=1S/C20H22N4O/c21-19(22)13-7-8-15-14(11-13)12-17(23-15)16-5-4-6-18(24-16)20(25)9-2-1-3-10-20/h4-8,11-12,23,25H,1-3,9-10H2,(H3,21,22) |
| InChIKey | InChI | 1.03 | VXVYXKAPTSJLCT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)c1ccc2[nH]c(cc2c1)c3cccc(n3)C4(O)CCCCC4 |
| SMILES | CACTVS | 3.385 | NC(=N)c1ccc2[nH]c(cc2c1)c3cccc(n3)C4(O)CCCCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | [H]/N=C(/c1ccc2c(c1)cc([nH]2)c3cccc(n3)C4(CCCCC4)O)\N |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(nc(c1)C2(CCCCC2)O)c3cc4cc(ccc4[nH]3)C(=N)N |
