D2G
概要
| 表記: | N-METHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE |
| 組成式: | C11 H12 N2 O |
| 電荷: | 0 |
| 化学式量: | 188.226 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | N-methyl-1-(5-pyridin-3-ylfuran-2-yl)methanamine |
| OpenEye OEToolkits | 1.5.0 | N-methyl-1-(5-pyridin-3-ylfuran-2-yl)methanamine |
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 | 10.04 | n2cccc(c1oc(cc1)CNC)c2 |
| SMILES_CANONICAL | CACTVS | 3.341 | CNCc1oc(cc1)c2cccnc2 |
| SMILES | CACTVS | 3.341 | CNCc1oc(cc1)c2cccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CNCc1ccc(o1)c2cccnc2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CNCc1ccc(o1)c2cccnc2 |
| InChI | InChI | 1.03 | InChI=1S/C11H12N2O/c1-12-8-10-4-5-11(14-10)9-3-2-6-13-7-9/h2-7,12H,8H2,1H3 |
| InChIKey | InChI | 1.03 | MDGMPFRIYUFRRX-UHFFFAOYSA-N |
