TU8
概要
| 表記: | (3~{S})-3'-(5-fluoranylpyridin-3-yl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione |
| 組成式: | C16 H12 F N3 O2 |
| 電荷: | 0 |
| 化学式量: | 297.284 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-3'-(5-fluoranylpyridin-3-yl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C16H12FN3O2/c17-11-7-12(9-18-8-11)20-14(21)16(19-15(20)22)6-5-10-3-1-2-4-13(10)16/h1-4,7-9H,5-6H2,(H,19,22)/t16-/m0/s1 |
| InChIKey | InChI | 1.03 | HDQQGZLJXIFZDY-INIZCTEOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1cncc(c1)N2C(=O)N[C@]3(CCc4ccccc34)C2=O |
| SMILES | CACTVS | 3.385 | Fc1cncc(c1)N2C(=O)N[C]3(CCc4ccccc34)C2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)CC[C@@]23C(=O)N(C(=O)N3)c4cc(cnc4)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)CCC23C(=O)N(C(=O)N3)c4cc(cnc4)F |
