NMF
Summary
| Name: | 6-[(2R)-2-(fluoromethyl)-3-hydroxy-propyl]-1,5-dimethyl-pyrimidine-2,4-dione |
| Formula: | C10 H15 F N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 230.236 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-[(2R)-3-fluoro-2-(hydroxymethyl)propyl]-1,5-dimethylpyrimidine-2,4(1H,3H)-dione |
| OpenEye OEToolkits | 1.7.0 | 6-[(2R)-2-(fluoromethyl)-3-hydroxy-propyl]-1,5-dimethyl-pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C(=C(N(C(=O)N1)C)CC(CF)CO)C |
| SMILES_CANONICAL | CACTVS | 3.370 | CN1C(=O)NC(=O)C(=C1C[C@H](CO)CF)C |
| SMILES | CACTVS | 3.370 | CN1C(=O)NC(=O)C(=C1C[CH](CO)CF)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC1=C(N(C(=O)NC1=O)C)C[C@H](CO)CF |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC1=C(N(C(=O)NC1=O)C)CC(CO)CF |
| InChI | InChI | 1.03 | InChI=1S/C10H15FN2O3/c1-6-8(3-7(4-11)5-14)13(2)10(16)12-9(6)15/h7,14H,3-5H2,1-2H3,(H,12,15,16)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | OHXHFKXQCMBBKV-ZETCQYMHSA-N |
