TDR
Summary
| Name: | THYMINE |
| Formula: | C5 H6 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 126.113 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-methylpyrimidine-2,4(1H,3H)-dione |
| OpenEye OEToolkits | 1.5.0 | 5-methyl-1H-pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1C(=CNC(=O)N1)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC1=CNC(=O)NC1=O |
| SMILES | CACTVS | 3.341 | CC1=CNC(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1=CNC(=O)NC1=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1=CNC(=O)NC1=O |
| InChI | InChI | 1.03 | InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9) |
| InChIKey | InChI | 1.03 | RWQNBRDOKXIBIV-UHFFFAOYSA-N |
