JND
Summary
| Name: | 6-ethylthieno[2,3-d]pyrimidin-4(3H)-one |
| Formula: | C8 H8 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 180.227 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-ethylthieno[2,3-d]pyrimidin-4(3H)-one |
| OpenEye OEToolkits | 2.0.6 | 6-ethyl-3~{H}-thieno[2,3-d]pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCc2cc1C(NC=Nc1s2)=O |
| InChI | InChI | 1.03 | InChI=1S/C8H8N2OS/c1-2-5-3-6-7(11)9-4-10-8(6)12-5/h3-4H,2H2,1H3,(H,9,10,11) |
| InChIKey | InChI | 1.03 | GXZAQJCUXCKYKB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1sc2N=CNC(=O)c2c1 |
| SMILES | CACTVS | 3.385 | CCc1sc2N=CNC(=O)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCc1cc2c(s1)N=CNC2=O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCc1cc2c(s1)N=CNC2=O |
