PZ4
概要
| 表記: | 5-fluoro-N-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-amine |
| 組成式: | C11 H9 F N6 |
| 電荷: | 0 |
| 化学式量: | 244.228 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-fluoro-N-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-amine |
| OpenEye OEToolkits | 2.0.7 | 5-fluoranyl-~{N}-methyl-2-(7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl)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 | 12.01 | CNc3nc(c2cnc1c2cncn1)ncc3F |
| InChI | InChI | 1.03 | InChI=1S/C11H9FN6/c1-13-11-8(12)4-16-10(18-11)7-3-15-9-6(7)2-14-5-17-9/h2-5H,1H3,(H,13,16,18)(H,14,15,17) |
| InChIKey | InChI | 1.03 | VCAWVIOIVGOEIB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1nc(ncc1F)c2c[nH]c3ncncc23 |
| SMILES | CACTVS | 3.385 | CNc1nc(ncc1F)c2c[nH]c3ncncc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNc1c(cnc(n1)c2c[nH]c3c2cncn3)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNc1c(cnc(n1)c2c[nH]c3c2cncn3)F |
