T6U
概要
| 表記: | (2P)-6-bromo-3-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-4(1H)-one |
| 組成式: | C8 H6 Br N3 O3 |
| 電荷: | 0 |
| 化学式量: | 272.056 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 | (2P)-6-bromo-3-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-4(1H)-one |
| OpenEye OEToolkits | 2.0.7 | 6-bromanyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3-oxidanyl-1~{H}-pyridin-4-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 |
| SMILES | ACDLabs | 12.01 | OC1=C(NC(Br)=CC1=O)c1nc(C)on1 |
| InChI | InChI | 1.06 | InChI=1S/C8H6BrN3O3/c1-3-10-8(12-15-3)6-7(14)4(13)2-5(9)11-6/h2,14H,1H3,(H,11,13) |
| InChIKey | InChI | 1.06 | VCOZTCCRJIGBLQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1onc(n1)C2=C(O)C(=O)C=C(Br)N2 |
| SMILES | CACTVS | 3.385 | Cc1onc(n1)C2=C(O)C(=O)C=C(Br)N2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nc(no1)C2=C(C(=O)C=C(N2)Br)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nc(no1)C2=C(C(=O)C=C(N2)Br)O |
