W40
概要
| 表記: | 5-[3,5-bis(fluoranyl)phenyl]-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione |
| 組成式: | C18 H14 F2 N2 O2 |
| 電荷: | 0 |
| 化学式量: | 328.313 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 | 5-[3,5-bis(fluoranyl)phenyl]-1-[(1~{S})-1-phenylethyl]pyrimidine-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 | 1.06 | InChI=1S/C18H14F2N2O2/c1-11(12-5-3-2-4-6-12)22-10-16(17(23)21-18(22)24)13-7-14(19)9-15(20)8-13/h2-11H,1H3,(H,21,23,24)/t11-/m0/s1 |
| InChIKey | InChI | 1.06 | PDFBJEYJDVRNBX-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](N1C=C(C(=O)NC1=O)c2cc(F)cc(F)c2)c3ccccc3 |
| SMILES | CACTVS | 3.385 | C[CH](N1C=C(C(=O)NC1=O)c2cc(F)cc(F)c2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](c1ccccc1)N2C=C(C(=O)NC2=O)c3cc(cc(c3)F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1ccccc1)N2C=C(C(=O)NC2=O)c3cc(cc(c3)F)F |
