P4L
概要
| 表記: | 2-pyridin-2-yl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol |
| 組成式: | C12 H11 N3 O S |
| 電荷: | 0 |
| 化学式量: | 245.3 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 | 2-(pyridin-2-yl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol |
| OpenEye OEToolkits | 1.7.0 | 2-pyridin-2-yl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol |
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(O)c3c(nc1c2ncccc2)CCSC3 |
| SMILES_CANONICAL | CACTVS | 3.370 | Oc1nc(nc2CCSCc12)c3ccccn3 |
| SMILES | CACTVS | 3.370 | Oc1nc(nc2CCSCc12)c3ccccn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccnc(c1)c2nc3c(c(n2)O)CSCC3 |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccnc(c1)c2nc3c(c(n2)O)CSCC3 |
| InChI | InChI | 1.03 | InChI=1S/C12H11N3OS/c16-12-8-7-17-6-4-9(8)14-11(15-12)10-3-1-2-5-13-10/h1-3,5H,4,6-7H2,(H,14,15,16) |
| InChIKey | InChI | 1.03 | RBVWEFJWVRUKIS-UHFFFAOYSA-N |
