FSK
Summary
| Name: | 6-[(1Z)-3-fluoro-2-(hydroxymethyl)prop-1-en-1-yl]-1,5-dimethylpyrimidine-2,4(1H,3H)-dione |
| Formula: | C10 H13 F N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 228.22 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-[(1Z)-3-fluoro-2-(hydroxymethyl)prop-1-en-1-yl]-1,5-dimethylpyrimidine-2,4(1H,3H)-dione |
| OpenEye OEToolkits | 1.7.6 | 6-[(Z)-2-(fluoranylmethyl)-3-oxidanyl-prop-1-enyl]-1,5-dimethyl-pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C(=C(\C=C(/CF)CO)N(C(=O)N1)C)C |
| InChI | InChI | 1.03 | InChI=1S/C10H13FN2O3/c1-6-8(3-7(4-11)5-14)13(2)10(16)12-9(6)15/h3,14H,4-5H2,1-2H3,(H,12,15,16)/b7-3+ |
| InChIKey | InChI | 1.03 | NEZZLCCSEJKABY-XVNBXDOJSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CN1C(=O)NC(=O)C(=C1\C=C(CO)/CF)C |
| SMILES | CACTVS | 3.370 | CN1C(=O)NC(=O)C(=C1C=C(CO)CF)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1=C(N(C(=O)NC1=O)C)/C=C(/CO)\CF |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1=C(N(C(=O)NC1=O)C)C=C(CO)CF |
