UH4
Summary
| Name: | N-(5-methylthiophen-2-yl)-N'-pyridin-3-ylurea |
| Formula: | C11 H11 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 233.29 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(5-methylthiophen-2-yl)-N'-pyridin-3-ylurea |
| OpenEye OEToolkits | 2.0.7 | 1-(5-methylthiophen-2-yl)-3-pyridin-3-yl-urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(C(Nc1ccc(s1)C)=O)c2cccnc2 |
| InChI | InChI | 1.03 | InChI=1S/C11H11N3OS/c1-8-4-5-10(16-8)14-11(15)13-9-3-2-6-12-7-9/h2-7H,1H3,(H2,13,14,15) |
| InChIKey | InChI | 1.03 | OCXJDZBTSLHCNX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1sc(NC(=O)Nc2cccnc2)cc1 |
| SMILES | CACTVS | 3.385 | Cc1sc(NC(=O)Nc2cccnc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(s1)NC(=O)Nc2cccnc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(s1)NC(=O)Nc2cccnc2 |
