32V
Summary
| Name: | 2-(cyclopentylamino)-3-ethyl-7-ethynylthieno[3,2-d]pyrimidin-4(3H)-one |
| Formula: | C15 H17 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 287.38 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(cyclopentylamino)-3-ethyl-7-ethynylthieno[3,2-d]pyrimidin-4(3H)-one |
| OpenEye OEToolkits | 1.9.2 | 2-(cyclopentylamino)-3-ethyl-7-ethynyl-thieno[3,2-d]pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1c3scc(C#C)c3N=C(N1CC)NC2CCCC2 |
| InChI | InChI | 1.03 | InChI=1S/C15H17N3OS/c1-3-10-9-20-13-12(10)17-15(18(4-2)14(13)19)16-11-7-5-6-8-11/h1,9,11H,4-8H2,2H3,(H,16,17) |
| InChIKey | InChI | 1.03 | OANQHUSHGBNVCN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN1C(=O)c2scc(C#C)c2N=C1NC3CCCC3 |
| SMILES | CACTVS | 3.385 | CCN1C(=O)c2scc(C#C)c2N=C1NC3CCCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCN1C(=O)c2c(c(cs2)C#C)N=C1NC3CCCC3 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCN1C(=O)c2c(c(cs2)C#C)N=C1NC3CCCC3 |
