54X
Summary
| Name: | 5-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4(1H)-one |
| Formula: | C10 H6 N2 O S2 |
| Formal charge: | 0 |
| Formula weight: | 234.297 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4(1H)-one |
| OpenEye OEToolkits | 1.9.2 | 5-thiophen-2-yl-1H-thieno[2,3-d]pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1N=CNc2scc(c12)c3cccs3 |
| InChI | InChI | 1.03 | InChI=1S/C10H6N2OS2/c13-9-8-6(7-2-1-3-14-7)4-15-10(8)12-5-11-9/h1-5H,(H,11,12,13) |
| InChIKey | InChI | 1.03 | LFUBTAOTPHKKOS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1N=CNc2scc(c3sccc3)c12 |
| SMILES | CACTVS | 3.385 | O=C1N=CNc2scc(c3sccc3)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(sc1)c2csc3c2C(=O)N=CN3 |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(sc1)c2csc3c2C(=O)N=CN3 |
