UXC
概要
| 表記: | 3-ethyl-8-[(2-methyl-5~{H}-imidazo[2,1-b][1,3]thiazol-6-yl)methyl]-7-(oxetan-3-ylmethyl)purine-2,6-dione |
| 組成式: | C18 H20 N6 O3 S |
| 電荷: | 0 |
| 化学式量: | 400.455 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-ethyl-8-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-7-(oxetan-3-ylmethyl)purine-2,6-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/C18H20N6O3S/c1-3-23-15-14(16(25)21-17(23)26)24(6-11-8-27-9-11)13(20-15)4-12-7-22-5-10(2)28-18(22)19-12/h5,7,11H,3-4,6,8-9H2,1-2H3,(H,21,25,26) |
| InChIKey | InChI | 1.06 | FJDRFUYWOVFIPP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN1C(=O)NC(=O)c2n(CC3COC3)c(Cc4cn5cc(C)sc5n4)nc12 |
| SMILES | CACTVS | 3.385 | CCN1C(=O)NC(=O)c2n(CC3COC3)c(Cc4cn5cc(C)sc5n4)nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN1c2c(n(c(n2)Cc3cn4cc(sc4n3)C)CC5COC5)C(=O)NC1=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCN1c2c(n(c(n2)Cc3cn4cc(sc4n3)C)CC5COC5)C(=O)NC1=O |
