| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | Clc1cc(c(OC)cc1)NC(=O)Nc2nc(OC(CN(C)C)C)cnc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc(Cl)cc1NC(=O)Nc2cncc(O[C@@H](C)CN(C)C)n2 |
| SMILES | CACTVS | 3.341 | COc1ccc(Cl)cc1NC(=O)Nc2cncc(O[CH](C)CN(C)C)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](CN(C)C)Oc1cncc(n1)NC(=O)Nc2cc(ccc2OC)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(CN(C)C)Oc1cncc(n1)NC(=O)Nc2cc(ccc2OC)Cl |
| InChI | InChI | 1.03 | InChI=1S/C17H22ClN5O3/c1-11(10-23(2)3)26-16-9-19-8-15(21-16)22-17(24)20-13-7-12(18)5-6-14(13)25-4/h5-9,11H,10H2,1-4H3,(H2,20,21,22,24)/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | GIAYFZLMPSVQDV-NSHDSACASA-N |
