PJS
概要
| 表記: | N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethylpyrimidine-4-carboxamide |
| 組成式: | C14 H13 Cl F N3 O |
| 電荷: | 0 |
| 化学式量: | 293.724 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 | N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethylpyrimidine-4-carboxamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-~{N},2-dimethyl-pyrimidine-4-carboxamide |
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 | Cc1nc(ccn1)C(N(Cc2c(F)cccc2Cl)C)=O |
| InChI | InChI | 1.03 | InChI=1S/C14H13ClFN3O/c1-9-17-7-6-13(18-9)14(20)19(2)8-10-11(15)4-3-5-12(10)16/h3-7H,8H2,1-2H3 |
| InChIKey | InChI | 1.03 | MOTYBLMYPYOWBD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(Cc1c(F)cccc1Cl)C(=O)c2ccnc(C)n2 |
| SMILES | CACTVS | 3.385 | CN(Cc1c(F)cccc1Cl)C(=O)c2ccnc(C)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1nccc(n1)C(=O)N(C)Cc2c(cccc2Cl)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1nccc(n1)C(=O)N(C)Cc2c(cccc2Cl)F |
