43R
概要
| 表記: | N-[5-(5-methoxypyridin-3-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide |
| 組成式: | C14 H16 N4 O2 S |
| 電荷: | 0 |
| 化学式量: | 304.367 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 | N-[5-(5-methoxypyridin-3-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide |
| OpenEye OEToolkits | 1.9.2 | N-[5-(5-methoxypyridin-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]ethanamide |
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=C(Nc1nc3c(s1)CN(c2cc(OC)cnc2)CC3)C |
| InChI | InChI | 1.03 | InChI=1S/C14H16N4O2S/c1-9(19)16-14-17-12-3-4-18(8-13(12)21-14)10-5-11(20-2)7-15-6-10/h5-7H,3-4,8H2,1-2H3,(H,16,17,19) |
| InChIKey | InChI | 1.03 | BJLFVHWVPYZOBS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cncc(c1)N2CCc3nc(NC(C)=O)sc3C2 |
| SMILES | CACTVS | 3.385 | COc1cncc(c1)N2CCc3nc(NC(C)=O)sc3C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(=O)Nc1nc2c(s1)CN(CC2)c3cc(cnc3)OC |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(=O)Nc1nc2c(s1)CN(CC2)c3cc(cnc3)OC |
