JYA
概要
| 表記: | (10S)-2-methoxy-7-methyl-9-propylimidazo[1,5-a]pyrido[3,2-e]pyrazine-6-carbonitrile |
| 組成式: | C15 H15 N5 O |
| 電荷: | 0 |
| 化学式量: | 281.313 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 | (10S)-2-methoxy-7-methyl-9-propylimidazo[1,5-a]pyrido[3,2-e]pyrazine-6-carbonitrile |
| OpenEye OEToolkits | 2.0.7 | 12-methoxy-5-methyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(13),3,5,7,9,11-hexaene-7-carbonitrile |
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 | COc1ccc2nc(C#N)c3c(C)nc(CCC)n3c2n1 |
| InChI | InChI | 1.03 | InChI=1S/C15H15N5O/c1-4-5-12-17-9(2)14-11(8-16)18-10-6-7-13(21-3)19-15(10)20(12)14/h6-7H,4-5H2,1-3H3 |
| InChIKey | InChI | 1.03 | GQYPTVVKCVYXLX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCc1nc(C)c2n1c3nc(OC)ccc3nc2C#N |
| SMILES | CACTVS | 3.385 | CCCc1nc(C)c2n1c3nc(OC)ccc3nc2C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCc1nc(c2n1c3c(ccc(n3)OC)nc2C#N)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCc1nc(c2n1c3c(ccc(n3)OC)nc2C#N)C |
