D7W
Summary
| Name: | 1-(3-chlorophenyl)-3-(3-methyl-5-oxidanylidene-4~{H}-imidazol-2-yl)urea |
| Formula: | C11 H11 Cl N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 266.684 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 1-(3-chlorophenyl)-3-(3-methyl-5-oxidanylidene-4~{H}-imidazol-2-yl)urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-5H,6H2,1H3,(H2,13,14,15,17,18) |
| InChIKey | InChI | 1.03 | DWPQODZAOSWNHB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CC(=O)N=C1NC(=O)Nc2cccc(Cl)c2 |
| SMILES | CACTVS | 3.385 | CN1CC(=O)N=C1NC(=O)Nc2cccc(Cl)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1CC(=O)N=C1NC(=O)Nc2cccc(c2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN1CC(=O)N=C1NC(=O)Nc2cccc(c2)Cl |
