P73
Summary
| Name: | 1-[2,6-bis(bromanyl)-4-propan-2-yl-phenyl]-3-pyridin-3-yl-urea |
| Formula: | C15 H15 Br2 N3 O |
| Formal charge: | 0 |
| Formula weight: | 413.107 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[2,6-bis(bromanyl)-4-propan-2-yl-phenyl]-3-pyridin-3-yl-urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H15Br2N3O/c1-9(2)10-6-12(16)14(13(17)7-10)20-15(21)19-11-4-3-5-18-8-11/h3-9H,1-2H3,(H2,19,20,21) |
| InChIKey | InChI | 1.06 | JFNKIJKRXKPQCC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1cc(Br)c(NC(=O)Nc2cccnc2)c(Br)c1 |
| SMILES | CACTVS | 3.385 | CC(C)c1cc(Br)c(NC(=O)Nc2cccnc2)c(Br)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)c1cc(c(c(c1)Br)NC(=O)Nc2cccnc2)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)c1cc(c(c(c1)Br)NC(=O)Nc2cccnc2)Br |
