| PDB CCD ID: | 38S |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C10 H14 N2 O4 |
| InChI: | 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: | XKKCQTLDIPIRQD-JGVFFNPUSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CC1=CN([C@H]2CC[C@@H](CO)O2)C(=O)NC1=O | | OpenEye OEToolkits 1.7.6 | CC1=CN(C(=O)NC1=O)C2CCC(O2)CO | | ACDLabs 12.01 | O=C1NC(=O)N(C=C1C)C2OC(CC2)CO | | CACTVS 3.385 | CC1=CN([CH]2CC[CH](CO)O2)C(=O)NC1=O | | OpenEye OEToolkits 1.7.6 | CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)CO |
|
| Name: | 1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione;
3'-deoxy thymidine |
| ChEMBL: | CHEMBL444314 |
| ZINC: | ZINC000000120584 |
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