WVK
Summary
| Name: | (2E)-N-(pyrimidin-2-yl)-3-(thiophen-2-yl)prop-2-enamide |
| Formula: | C11 H9 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 231.274 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E)-N-(pyrimidin-2-yl)-3-(thiophen-2-yl)prop-2-enamide |
| OpenEye OEToolkits | 2.0.7 | (~{E})-~{N}-pyrimidin-2-yl-3-thiophen-2-yl-prop-2-enamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(/C=C/c1cccs1)Nc1ncccn1 |
| InChI | InChI | 1.06 | InChI=1S/C11H9N3OS/c15-10(5-4-9-3-1-8-16-9)14-11-12-6-2-7-13-11/h1-8H,(H,12,13,14,15)/b5-4+ |
| InChIKey | InChI | 1.06 | YHXZJZATPFHLGR-SNAWJCMRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(Nc1ncccn1)\C=C\c2sccc2 |
| SMILES | CACTVS | 3.385 | O=C(Nc1ncccn1)C=Cc2sccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)/C=C/C(=O)Nc2ncccn2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)C=CC(=O)Nc2ncccn2 |
