ZZM
概要
| 表記: | 1-(1-METHYLETHYL)-3-(PYRIDIN-3-YLETHYNYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE |
| 組成式: | C15 H14 N6 |
| 電荷: | 0 |
| 化学式量: | 278.312 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 | 1-(1-methylethyl)-3-(pyridin-3-ylethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| OpenEye OEToolkits | 1.6.1 | 1-propan-2-yl-3-(2-pyridin-3-ylethynyl)pyrazolo[4,5-e]pyrimidin-4-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 | 10.04 | n1c(c3c(nc1)n(nc3C#Cc2cccnc2)C(C)C)N |
| SMILES_CANONICAL | CACTVS | 3.352 | CC(C)n1nc(C#Cc2cccnc2)c3c(N)ncnc13 |
| SMILES | CACTVS | 3.352 | CC(C)n1nc(C#Cc2cccnc2)c3c(N)ncnc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CC(C)n1c2c(c(n1)C#Cc3cccnc3)c(ncn2)N |
| SMILES | OpenEye OEToolkits | 1.6.1 | CC(C)n1c2c(c(n1)C#Cc3cccnc3)c(ncn2)N |
| InChI | InChI | 1.03 | InChI=1S/C15H14N6/c1-10(2)21-15-13(14(16)18-9-19-15)12(20-21)6-5-11-4-3-7-17-8-11/h3-4,7-10H,1-2H3,(H2,16,18,19) |
| InChIKey | InChI | 1.03 | NYVMTNNWZOHTJT-UHFFFAOYSA-N |
