LIY
概要
| 表記: | 6-ETHYL-5-[(2S)-1-(3-METHOXYPROPYL)-2-PHENYL-1,2,3,4-TETRAHYDROQUINOLIN-7-YL]PYRIMIDINE-2,4-DIAMINE |
| 組成式: | C25 H31 N5 O |
| 電荷: | 0 |
| 化学式量: | 417.547 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | 6-ethyl-5-[(2S)-1-(3-methoxypropyl)-2-phenyl-1,2,3,4-tetrahydroquinolin-7-yl]pyrimidine-2,4-diamine |
| OpenEye OEToolkits | 1.5.0 | 6-ethyl-5-[(2S)-1-(3-methoxypropyl)-2-phenyl-3,4-dihydro-2H-quinolin-7-yl]pyrimidine-2,4-diamine |
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 | 10.04 | n4c(c(c1ccc3c(c1)N(C(c2ccccc2)CC3)CCCOC)c(nc4N)N)CC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCc1nc(N)nc(N)c1c2ccc3CC[C@H](N(CCCOC)c3c2)c4ccccc4 |
| SMILES | CACTVS | 3.341 | CCc1nc(N)nc(N)c1c2ccc3CC[CH](N(CCCOC)c3c2)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N([C@@H](CC3)c4ccccc4)CCCOC |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(CC3)c4ccccc4)CCCOC |
| InChI | InChI | 1.03 | InChI=1S/C25H31N5O/c1-3-20-23(24(26)29-25(27)28-20)19-11-10-18-12-13-21(17-8-5-4-6-9-17)30(22(18)16-19)14-7-15-31-2/h4-6,8-11,16,21H,3,7,12-15H2,1-2H3,(H4,26,27,28,29)/t21-/m0/s1 |
| InChIKey | InChI | 1.03 | UOYVKYJWAXJTTE-NRFANRHFSA-N |
