OQQ
概要
| 表記: | 6-amino-2-(methylamino)-4-(4-(trifluoromethyl)phenethyl)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one |
| 別名: | 6-azanyl-2-(methylamino)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,5-dihydroimidazo[4,5-g]quinazolin-8-one |
| 組成式: | C19 H17 F3 N6 O |
| 電荷: | 0 |
| 化学式量: | 402.373 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.7 | 6-azanyl-2-(methylamino)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,5-dihydroimidazo[4,5-g]quinazolin-8-one |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C19H17F3N6O/c1-24-18-25-13-8-12-14(26-17(23)28-16(12)29)11(15(13)27-18)7-4-9-2-5-10(6-3-9)19(20,21)22/h2-3,5-6,8H,4,7H2,1H3,(H2,24,25,27)(H3,23,26,28,29) |
| InChIKey | InChI | 1.03 | ZWUPQNLDYYEWTK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1[nH]c2cc3C(=O)N=C(N)Nc3c(CCc4ccc(cc4)C(F)(F)F)c2n1 |
| SMILES | CACTVS | 3.385 | CNc1[nH]c2cc3C(=O)N=C(N)Nc3c(CCc4ccc(cc4)C(F)(F)F)c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNc1[nH]c2cc3c(c(c2n1)CCc4ccc(cc4)C(F)(F)F)NC(=NC3=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNc1[nH]c2cc3c(c(c2n1)CCc4ccc(cc4)C(F)(F)F)NC(=NC3=O)N |
