FJV
概要
| 表記: | 4-(8-(piperazin-1-yl)-1,2,3,4-tetrahydro-[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine |
| 別名: | 5-(morpholin-4-yl)-8-(piperazin-1-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinoline |
| 組成式: | C20 H25 N7 O S |
| 電荷: | 0 |
| 化学式量: | 411.524 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 | 5-(morpholin-4-yl)-8-(piperazin-1-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinoline |
| OpenEye OEToolkits | 2.0.6 | 4-(13-piperazin-1-yl-11-thia-9,14,15,16-tetrazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-8-yl)morpholine |
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 | C1COCCN1c3c2CCCCc2c4c(n3)sc5c4nnnc5N6CCNCC6 |
| InChI | InChI | 1.03 | InChI=1S/C20H25N7OS/c1-2-4-14-13(3-1)15-16-17(19(24-25-23-16)26-7-5-21-6-8-26)29-20(15)22-18(14)27-9-11-28-12-10-27/h21H,1-12H2 |
| InChIKey | InChI | 1.03 | ZPVQONCMKZBGTB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CCc2c(C1)c(nc3sc4c(nnnc4c23)N5CCNCC5)N6CCOCC6 |
| SMILES | CACTVS | 3.385 | C1CCc2c(C1)c(nc3sc4c(nnnc4c23)N5CCNCC5)N6CCOCC6 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1CCc2c(c3c4c(c(nnn4)N5CCNCC5)sc3nc2N6CCOCC6)C1 |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1CCc2c(c3c4c(c(nnn4)N5CCNCC5)sc3nc2N6CCOCC6)C1 |
