5YE
概要
| 表記: | 6-[[ethyl-(4-fluorophenyl)amino]methyl]-2,3-dihydro-1~{H}-cyclopenta[3,4][1,3]thiazolo[1,4-~{a}]pyrimidin-8-one |
| 組成式: | C18 H18 F N3 O S |
| 電荷: | 0 |
| 化学式量: | 343.418 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 | 2.0.4 | 6-[[ethyl-(4-fluorophenyl)amino]methyl]-2,3-dihydro-1~{H}-cyclopenta[3,4][1,3]thiazolo[1,4-~{a}]pyrimidin-8-one |
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/C18H18FN3OS/c1-2-21(14-8-6-12(19)7-9-14)11-13-10-17(23)22-15-4-3-5-16(15)24-18(22)20-13/h6-10H,2-5,11H2,1H3 |
| InChIKey | InChI | 1.03 | MKBFOAQLSFHEGN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN(CC1=CC(=O)N2C3=C(CCC3)SC2=N1)c4ccc(F)cc4 |
| SMILES | CACTVS | 3.385 | CCN(CC1=CC(=O)N2C3=C(CCC3)SC2=N1)c4ccc(F)cc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CCN(CC1=CC(=O)N2C3=C(CCC3)SC2=N1)c4ccc(cc4)F |
| SMILES | OpenEye OEToolkits | 2.0.4 | CCN(CC1=CC(=O)N2C3=C(CCC3)SC2=N1)c4ccc(cc4)F |
