38S
Summary
| Name: | 1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione |
| Synonyms: | 3'-deoxy thymidine |
| Formula: | C10 H14 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 226.229 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione |
| OpenEye OEToolkits | 1.7.6 | 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1NC(=O)N(C=C1C)C2OC(CC2)CO |
| InChI | InChI | 1.03 | InChI=1S/C10H14N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h4,7-8,13H,2-3,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1 |
| InChIKey | InChI | 1.03 | XKKCQTLDIPIRQD-JGVFFNPUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=CN([C@H]2CC[C@@H](CO)O2)C(=O)NC1=O |
| SMILES | CACTVS | 3.385 | CC1=CN([CH]2CC[CH](CO)O2)C(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)CO |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1=CN(C(=O)NC1=O)C2CCC(O2)CO |
