RNC
概要
| 表記: | [3-(5-hydroxy-1,2,4-oxadiazol-3-yl)azetidin-1-yl][5-(methylamino)pyrazin-2-yl]methanone |
| 組成式: | C11 H12 N6 O3 |
| 電荷: | 0 |
| 化学式量: | 276.251 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | [3-(5-hydroxy-1,2,4-oxadiazol-3-yl)azetidin-1-yl][5-(methylamino)pyrazin-2-yl]methanone |
| OpenEye OEToolkits | 2.0.7 | [5-(methylamino)pyrazin-2-yl]-[3-(5-oxidanyl-1,2,4-oxadiazol-3-yl)azetidin-1-yl]methanone |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | CNc1ncc(nc1)C(=O)N1CC(C1)c1nc(O)on1 |
| InChI | InChI | 1.06 | InChI=1S/C11H12N6O3/c1-12-8-3-13-7(2-14-8)10(18)17-4-6(5-17)9-15-11(19)20-16-9/h2-3,6H,4-5H2,1H3,(H,12,14)(H,15,16,19) |
| InChIKey | InChI | 1.06 | YHUMVPIVKSGDRU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1cnc(cn1)C(=O)N2CC(C2)c3noc(O)n3 |
| SMILES | CACTVS | 3.385 | CNc1cnc(cn1)C(=O)N2CC(C2)c3noc(O)n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNc1cnc(cn1)C(=O)N2CC(C2)c3nc(on3)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNc1cnc(cn1)C(=O)N2CC(C2)c3nc(on3)O |
