I34
Summary
| Name: | N-(5-Chloro-2,4-dimethoxyphenyl)-N'-(5-methyl-3-isoxazolyl)-urea |
| Formula: | C13 H14 Cl N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 311.721 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-(5-chloranyl-2,4-dimethoxy-phenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H14ClN3O4/c1-7-4-12(17-21-7)16-13(18)15-9-5-8(14)10(19-2)6-11(9)20-3/h4-6H,1-3H3,(H2,15,16,17,18) |
| InChIKey | InChI | 1.03 | CEIIEALEIHQDBX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(OC)c(NC(=O)Nc2cc(C)on2)cc1Cl |
| SMILES | CACTVS | 3.385 | COc1cc(OC)c(NC(=O)Nc2cc(C)on2)cc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(no1)NC(=O)Nc2cc(c(cc2OC)OC)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(no1)NC(=O)Nc2cc(c(cc2OC)OC)Cl |
