6IG
概要
| 表記: | 6-ETHYL-5-[1-(3-METHOXYPROPYL)-1,2,3,4-TETRAHYDROQUINOLIN-7-YL]-N~4~-(2-PHENYLETHYL)PYRIMIDINE-2,4-DIAMINE |
| 組成式: | C27 H35 N5 O |
| 電荷: | 0 |
| 化学式量: | 445.6 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-[1-(3-methoxypropyl)-1,2,3,4-tetrahydroquinolin-7-yl]-N~4~-(2-phenylethyl)pyrimidine-2,4-diamine |
| OpenEye OEToolkits | 1.5.0 | 6-ethyl-5-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-7-yl]-N'-phenethyl-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 | n3c(c(c1ccc2c(c1)N(CCC2)CCCOC)c(nc3N)NCCc4ccccc4)CC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCc1nc(N)nc(NCCc2ccccc2)c1c3ccc4CCCN(CCCOC)c4c3 |
| SMILES | CACTVS | 3.341 | CCc1nc(N)nc(NCCc2ccccc2)c1c3ccc4CCCN(CCCOC)c4c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCc1c(c(nc(n1)N)NCCc2ccccc2)c3ccc4c(c3)N(CCC4)CCCOC |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCc1c(c(nc(n1)N)NCCc2ccccc2)c3ccc4c(c3)N(CCC4)CCCOC |
| InChI | InChI | 1.03 | InChI=1S/C27H35N5O/c1-3-23-25(26(31-27(28)30-23)29-15-14-20-9-5-4-6-10-20)22-13-12-21-11-7-16-32(24(21)19-22)17-8-18-33-2/h4-6,9-10,12-13,19H,3,7-8,11,14-18H2,1-2H3,(H3,28,29,30,31) |
| InChIKey | InChI | 1.03 | DGNIHJBLLNEWQZ-UHFFFAOYSA-N |
