種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Fc1cc(cc(OC2CC(=O)N2)c1)NC(=O)Cc1cncnc1 |
InChI | InChI | 1.06 | InChI=1S/C15H13FN4O3/c16-10-2-11(4-12(3-10)23-15-5-14(22)20-15)19-13(21)1-9-6-17-8-18-7-9/h2-4,6-8,15H,1,5H2,(H,19,21)(H,20,22)/t15-/m0/s1 |
InChIKey | InChI | 1.06 | SFHHIQYDZORTHQ-HNNXBMFYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1cc(NC(=O)Cc2cncnc2)cc(O[C@H]3CC(=O)N3)c1 |
SMILES | CACTVS | 3.385 | Fc1cc(NC(=O)Cc2cncnc2)cc(O[CH]3CC(=O)N3)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cc(cc1O[C@H]2CC(=O)N2)F)NC(=O)Cc3cncnc3 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cc(cc1OC2CC(=O)N2)F)NC(=O)Cc3cncnc3 |