8ZJ
概要
| 表記: | 4-hydroxy-N-methyl-2-phenylpyrrolo[1,2-a]pyrimidine-8-carboxamide |
| 組成式: | C15 H13 N3 O2 |
| 電荷: | 0 |
| 化学式量: | 267.283 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 | 4-hydroxy-N-methyl-2-phenylpyrrolo[1,2-a]pyrimidine-8-carboxamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-methyl-4-oxidanyl-2-phenyl-pyrrolo[1,2-a]pyrimidine-8-carboxamide |
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 | c3c(c2cc(O)n1c(c(cc1)C(NC)=O)n2)cccc3 |
| InChI | InChI | 1.03 | InChI=1S/C15H13N3O2/c1-16-15(20)11-7-8-18-13(19)9-12(17-14(11)18)10-5-3-2-4-6-10/h2-9,19H,1H3,(H,16,20) |
| InChIKey | InChI | 1.03 | AAXXCVSAFRNQEF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1ccn2c(O)cc(nc12)c3ccccc3 |
| SMILES | CACTVS | 3.385 | CNC(=O)c1ccn2c(O)cc(nc12)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CNC(=O)c1ccn2c1nc(cc2O)c3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CNC(=O)c1ccn2c1nc(cc2O)c3ccccc3 |
