WWC
概要
| 表記: | 1-methyl-N'-(7H-purin-6-yl)cyclopropane-1-carbohydrazide |
| 組成式: | C10 H12 N6 O |
| 電荷: | 0 |
| 化学式量: | 232.242 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 | 1-methyl-N'-(7H-purin-6-yl)cyclopropane-1-carbohydrazide |
| OpenEye OEToolkits | 2.0.7 | 1-methyl-~{N}'-(7~{H}-purin-6-yl)cyclopropane-1-carbohydrazide |
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 | CC1(CC1)C(=O)NNc1ncnc2nc[NH]c12 |
| InChI | InChI | 1.06 | InChI=1S/C10H12N6O/c1-10(2-3-10)9(17)16-15-8-6-7(12-4-11-6)13-5-14-8/h4-5H,2-3H2,1H3,(H,16,17)(H2,11,12,13,14,15) |
| InChIKey | InChI | 1.06 | NBIADPZZLKISOX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(CC1)C(=O)NNc2ncnc3nc[nH]c23 |
| SMILES | CACTVS | 3.385 | CC1(CC1)C(=O)NNc2ncnc3nc[nH]c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(CC1)C(=O)NNc2c3c(nc[nH]3)ncn2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(CC1)C(=O)NNc2c3c(nc[nH]3)ncn2 |
