3DT
Summary
| Name: | 3-methylthymidine |
| Formula: | C11 H16 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 256.255 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dimethyl-pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | CN1C(=O)N(C=C(C)C1=O)[C@H]2C[C@H](O)[C@@H](CO)O2 |
| SMILES | CACTVS | 3.352 | CN1C(=O)N(C=C(C)C1=O)[CH]2C[CH](O)[CH](CO)O2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC1=CN(C(=O)N(C1=O)C)[C@H]2C[C@@H]([C@H](O2)CO)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC1=CN(C(=O)N(C1=O)C)C2CC(C(O2)CO)O |
| InChI | InChI | 1.03 | InChI=1S/C11H16N2O5/c1-6-4-13(11(17)12(2)10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,3,5H2,1-2H3/t7-,8+,9+/m0/s1 |
| InChIKey | InChI | 1.03 | JCVDICFLPGDHAT-DJLDLDEBSA-N |
