6HP
概要
表記: | 1,3-dimethyl-6-(2-methylpropoxy)pyrimidine-2,4(1H,3H)-dione |
組成式: | C10 H16 N2 O3 |
電荷: | 0 |
化学式量: | 212.246 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 | 1,3-dimethyl-6-(2-methylpropoxy)pyrimidine-2,4(1H,3H)-dione |
OpenEye OEToolkits | 2.0.4 | 1,3-dimethyl-6-(2-methylpropoxy)pyrimidine-2,4-dione |
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 | CC(COC=1N(C(=O)N(C(C=1)=O)C)C)C |
InChI | InChI | 1.03 | InChI=1S/C10H16N2O3/c1-7(2)6-15-9-5-8(13)11(3)10(14)12(9)4/h5,7H,6H2,1-4H3 |
InChIKey | InChI | 1.03 | NBDGERYKSQRETJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)COC1=CC(=O)N(C)C(=O)N1C |
SMILES | CACTVS | 3.385 | CC(C)COC1=CC(=O)N(C)C(=O)N1C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CC(C)COC1=CC(=O)N(C(=O)N1C)C |
SMILES | OpenEye OEToolkits | 2.0.4 | CC(C)COC1=CC(=O)N(C(=O)N1C)C |