K1J
概要
| 表記: | (2S,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine |
| 組成式: | C9 H15 N3 O S |
| 電荷: | 0 |
| 化学式量: | 213.3 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 | (2S,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine |
| OpenEye OEToolkits | 2.0.6 | (2~{S},3~{R})-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine |
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 | n1c(snc1C)N2C(C)C(C)OCC2 |
| InChI | InChI | 1.03 | InChI=1S/C9H15N3OS/c1-6-7(2)13-5-4-12(6)9-10-8(3)11-14-9/h6-7H,4-5H2,1-3H3/t6-,7+/m1/s1 |
| InChIKey | InChI | 1.03 | ZYTILAVGDCNHRS-RQJHMYQMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1OCCN([C@@H]1C)c2snc(C)n2 |
| SMILES | CACTVS | 3.385 | C[CH]1OCCN([CH]1C)c2snc(C)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1nc(sn1)N2CCO[C@H]([C@H]2C)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1nc(sn1)N2CCOC(C2C)C |
