LWU
概要
| 表記: | 1-(2-(2-((6-(dihydroxymethyl)-2-phenylpyrimidin-4-yl)methylene)hydrazineyl)-2-oxoethyl)pyridin-1-ium |
| 別名: | ~{N}'-[[6-[bis(oxidanyl)methyl]-2-phenyl-pyrimidin-4-yl]methyl]-2-pyridin-1-yl-ethanehydrazide |
| 組成式: | C19 H20 N5 O3 |
| 電荷: | 1 |
| 化学式量: | 366.394 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 | ~{N}'-[[6-[bis(oxidanyl)methyl]-2-phenyl-pyrimidin-4-yl]methyl]-2-pyridin-1-ium-1-yl-ethanehydrazide |
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/C19H19N5O3/c25-17(13-24-9-5-2-6-10-24)23-20-12-15-11-16(19(26)27)22-18(21-15)14-7-3-1-4-8-14/h1-11,19-20,26-27H,12-13H2/p+1 |
| InChIKey | InChI | 1.06 | JPVVLHGFGWJHHI-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(O)c1cc(CNNC(=O)C[n+]2ccccc2)nc(n1)c3ccccc3 |
| SMILES | CACTVS | 3.385 | OC(O)c1cc(CNNC(=O)C[n+]2ccccc2)nc(n1)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2nc(cc(n2)C(O)O)CNNC(=O)C[n+]3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2nc(cc(n2)C(O)O)CNNC(=O)C[n+]3ccccc3 |
