UWS
概要
| 表記: | 6-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridazin-3(2H)-one |
| 組成式: | C10 H11 N3 O2 |
| 電荷: | 0 |
| 化学式量: | 205.213 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 | 6-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridazin-3(2H)-one |
| OpenEye OEToolkits | 2.0.7 | 6-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridazin-3-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 | N=2N(Cc1cc(C)no1)C(C=CC=2C)=O |
| InChI | InChI | 1.03 | InChI=1S/C10H11N3O2/c1-7-3-4-10(14)13(11-7)6-9-5-8(2)12-15-9/h3-5H,6H2,1-2H3 |
| InChIKey | InChI | 1.03 | PLCLGFAKZPXQFY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=NN(Cc2onc(C)c2)C(=O)C=C1 |
| SMILES | CACTVS | 3.385 | CC1=NN(Cc2onc(C)c2)C(=O)C=C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(on1)CN2C(=O)C=CC(=N2)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(on1)CN2C(=O)C=CC(=N2)C |
