22L
Summary
| Name: | 5-phenylthieno[2,3-d]pyrimidin-4(3H)-one |
| Formula: | C12 H8 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 228.27 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-phenylthieno[2,3-d]pyrimidin-4(3H)-one |
| OpenEye OEToolkits | 1.7.6 | 5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2NC=Nc1scc(c12)c3ccccc3 |
| InChI | InChI | 1.03 | InChI=1S/C12H8N2OS/c15-11-10-9(8-4-2-1-3-5-8)6-16-12(10)14-7-13-11/h1-7H,(H,13,14,15) |
| InChIKey | InChI | 1.03 | OLGMRBGIXZANNV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC=Nc2scc(c3ccccc3)c12 |
| SMILES | CACTVS | 3.385 | O=C1NC=Nc2scc(c3ccccc3)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2csc3c2C(=O)NC=N3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2csc3c2C(=O)NC=N3 |
