| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(c1cc(F)cc2sc(nc12)Nc3ccc(cc3)C(N(C)C)C)N |
| InChI | InChI | 1.03 | InChI=1S/C18H19FN4OS/c1-10(23(2)3)11-4-6-13(7-5-11)21-18-22-16-14(17(20)24)8-12(19)9-15(16)25-18/h4-10H,1-3H3,(H2,20,24)(H,21,22)/t10-/m1/s1 |
| InChIKey | InChI | 1.03 | ZZNKSJOSXHEVOQ-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](N(C)C)c1ccc(Nc2sc3cc(F)cc(C(N)=O)c3n2)cc1 |
| SMILES | CACTVS | 3.385 | C[CH](N(C)C)c1ccc(Nc2sc3cc(F)cc(C(N)=O)c3n2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@H](c1ccc(cc1)Nc2nc3c(cc(cc3s2)F)C(=O)N)N(C)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(c1ccc(cc1)Nc2nc3c(cc(cc3s2)F)C(=O)N)N(C)C |
