VUP
概要
| 表記: | 4-(1-ethyl-6-methyl-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine |
| 組成式: | C11 H12 N6 O |
| 電荷: | 0 |
| 化学式量: | 244.253 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 | 4-(1-ethyl-6-methyl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine |
| OpenEye OEToolkits | 1.9.2 | 4-(1-ethyl-6-methyl-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine |
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 | n1onc(N)c1c2nc3c(n2CC)cc(nc3)C |
| InChI | InChI | 1.03 | InChI=1S/C11H12N6O/c1-3-17-8-4-6(2)13-5-7(8)14-11(17)9-10(12)16-18-15-9/h4-5H,3H2,1-2H3,(H2,12,16) |
| InChIKey | InChI | 1.03 | QHFQFSACHXZZDN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCn1c2cc(C)ncc2nc1c3nonc3N |
| SMILES | CACTVS | 3.385 | CCn1c2cc(C)ncc2nc1c3nonc3N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCn1c2cc(ncc2nc1c3c(non3)N)C |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCn1c2cc(ncc2nc1c3c(non3)N)C |
