19Y
概要
| 表記: | 6-ethyl-4-methoxy-2-(pyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde |
| 組成式: | C15 H14 N4 O2 S |
| 電荷: | 0 |
| 化学式量: | 314.362 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 | 6-ethyl-4-methoxy-2-(pyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde |
| OpenEye OEToolkits | 1.7.6 | 6-ethyl-4-methoxy-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde |
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 | O=Cc3c1c(nc(nc1OC)Sc2cccnc2)nc3CC |
| InChI | InChI | 1.03 | InChI=1S/C15H14N4O2S/c1-3-11-10(8-20)12-13(17-11)18-15(19-14(12)21-2)22-9-5-4-6-16-7-9/h4-8H,3H2,1-2H3,(H,17,18,19) |
| InChIKey | InChI | 1.03 | LEMXQPJEGCAOFY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCc1[nH]c2nc(Sc3cccnc3)nc(OC)c2c1C=O |
| SMILES | CACTVS | 3.370 | CCc1[nH]c2nc(Sc3cccnc3)nc(OC)c2c1C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCc1c(c2c([nH]1)nc(nc2OC)Sc3cccnc3)C=O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCc1c(c2c([nH]1)nc(nc2OC)Sc3cccnc3)C=O |
