BTD
Summary
| Name: | 5-BROMOTHIENYLDEOXYURIDINE |
| Formula: | C13 H13 Br N2 O5 S |
| Formal charge: | 0 |
| Formula weight: | 389.222 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-(5-bromothiophen-2-yl)-2'-deoxyuridine |
| OpenEye OEToolkits | 1.5.0 | 5-(5-bromothiophen-2-yl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Brc3sc(C=1C(=O)NC(=O)N(C=1)C2OC(CO)C(O)C2)cc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(C(=O)NC2=O)c3sc(Br)cc3 |
| SMILES | CACTVS | 3.341 | OC[CH]1O[CH](C[CH]1O)N2C=C(C(=O)NC2=O)c3sc(Br)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(sc1C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)CO)O)Br |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(sc1C2=CN(C(=O)NC2=O)C3CC(C(O3)CO)O)Br |
| InChI | InChI | 1.03 | InChI=1S/C13H13BrN2O5S/c14-10-2-1-9(22-10)6-4-16(13(20)15-12(6)19)11-3-7(18)8(5-17)21-11/h1-2,4,7-8,11,17-18H,3,5H2,(H,15,19,20)/t7-,8+,11+/m0/s1 |
| InChIKey | InChI | 1.03 | IGUZFFOBAZCVRK-VAOFZXAKSA-N |
