JSN
概要
| 表記: | (6~{S})-6-[2,4-bis(fluoranyl)phenyl]-~{N},~{N},4-trimethyl-2-oxidanylidene-5,6-dihydro-1~{H}-pyrimidine-5-carboxamide |
| 組成式: | C14 H15 F2 N3 O2 |
| 電荷: | 0 |
| 化学式量: | 295.285 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.7 | (6~{S})-6-[2,4-bis(fluoranyl)phenyl]-~{N},~{N},4-trimethyl-2-oxidanylidene-5,6-dihydro-1~{H}-pyrimidine-5-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 |
| InChI | InChI | 1.03 | InChI=1S/C14H15F2N3O2/c1-7-11(13(20)19(2)3)12(18-14(21)17-7)9-5-4-8(15)6-10(9)16/h4-6,11-12H,1-3H3,(H,18,21)/t11-,12-/m1/s1 |
| InChIKey | InChI | 1.03 | MEHFDOJZBVYYGY-VXGBXAGGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)C(=O)[C@H]1[C@H](NC(=O)N=C1C)c2ccc(F)cc2F |
| SMILES | CACTVS | 3.385 | CN(C)C(=O)[CH]1[CH](NC(=O)N=C1C)c2ccc(F)cc2F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=NC(=O)N[C@@H](C1C(=O)N(C)C)c2ccc(cc2F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=NC(=O)NC(C1C(=O)N(C)C)c2ccc(cc2F)F |
