M6I
Summary
| Name: | N-(3-chlorophenyl)-N'-(pyridin-3-yl)urea |
| Formula: | C12 H10 Cl N3 O |
| Formal charge: | 0 |
| Formula weight: | 247.68 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(3-chlorophenyl)-N'-(pyridin-3-yl)urea |
| OpenEye OEToolkits | 2.0.7 | 1-(3-chlorophenyl)-3-pyridin-3-yl-urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1cccnc1)Nc1cccc(Cl)c1 |
| InChI | InChI | 1.06 | InChI=1S/C12H10ClN3O/c13-9-3-1-4-10(7-9)15-12(17)16-11-5-2-6-14-8-11/h1-8H,(H2,15,16,17) |
| InChIKey | InChI | 1.06 | QGLBBAUVPATXPV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc(NC(=O)Nc2cccnc2)c1 |
| SMILES | CACTVS | 3.385 | Clc1cccc(NC(=O)Nc2cccnc2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)NC(=O)Nc2cccnc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)NC(=O)Nc2cccnc2 |
