FVV
概要
| 表記: | 10-[(4-fluorophenyl)methyl]-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole |
| 組成式: | C17 H16 F N3 |
| 電荷: | 0 |
| 化学式量: | 281.327 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 | 10-[(4-fluorophenyl)methyl]-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole |
| OpenEye OEToolkits | 2.0.6 | 10-[(4-fluorophenyl)methyl]-3,4-dihydro-2~{H}-pyrimido[1,2-a]benzimidazole |
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 | c4(ccc(CN3C=1N(CCCN=1)c2c3cccc2)cc4)F |
| InChI | InChI | 1.03 | InChI=1S/C17H16FN3/c18-14-8-6-13(7-9-14)12-21-16-5-2-1-4-15(16)20-11-3-10-19-17(20)21/h1-2,4-9H,3,10-12H2 |
| InChIKey | InChI | 1.03 | LXOFDRFYSDHQTI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(CN2c3ccccc3N4CCCN=C24)cc1 |
| SMILES | CACTVS | 3.385 | Fc1ccc(CN2c3ccccc3N4CCCN=C24)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)N3CCCN=C3N2Cc4ccc(cc4)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)N3CCCN=C3N2Cc4ccc(cc4)F |
