XOB
Summary
| Name: | 1-[[(3~{R})-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-oxidanyl-thieno[3,2-d]pyrimidine-2,4-dione |
| Formula: | C15 H12 N2 O5 S |
| Formal charge: | 0 |
| Formula weight: | 332.331 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[[(3~{R})-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-oxidanyl-thieno[3,2-d]pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H12N2O5S/c18-14-13-10(5-6-23-13)16(15(19)17(14)20)7-9-8-21-11-3-1-2-4-12(11)22-9/h1-6,9,20H,7-8H2/t9-/m1/s1 |
| InChIKey | InChI | 1.06 | MXQGCMQXTPTJJT-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ON1C(=O)N(C[C@@H]2COc3ccccc3O2)c4ccsc4C1=O |
| SMILES | CACTVS | 3.385 | ON1C(=O)N(C[CH]2COc3ccccc3O2)c4ccsc4C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)OC[C@H](O2)CN3c4ccsc4C(=O)N(C3=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)OCC(O2)CN3c4ccsc4C(=O)N(C3=O)O |
