| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | n1c(cn3ccnc3c1Nc2ccc(OC)c(OC)c2)c4cc(C(=O)N)ccc4 |
| InChI | InChI | 1.03 | InChI=1S/C21H19N5O3/c1-28-17-7-6-15(11-18(17)29-2)24-20-21-23-8-9-26(21)12-16(25-20)13-4-3-5-14(10-13)19(22)27/h3-12H,1-2H3,(H2,22,27)(H,24,25) |
| InChIKey | InChI | 1.03 | QJHCMTUHZIJSPR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(Nc2nc(cn3ccnc23)c4cccc(c4)C(N)=O)cc1OC |
| SMILES | CACTVS | 3.385 | COc1ccc(Nc2nc(cn3ccnc23)c4cccc(c4)C(N)=O)cc1OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | COc1ccc(cc1OC)Nc2c3nccn3cc(n2)c4cccc(c4)C(=O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | COc1ccc(cc1OC)Nc2c3nccn3cc(n2)c4cccc(c4)C(=O)N |
