4VC
Summary
| Name: | 1-(2-chlorophenyl)-3-(pyridin-3-ylmethyl)urea |
| Formula: | C13 H12 Cl N3 O |
| Formal charge: | 0 |
| Formula weight: | 261.707 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(2-chlorophenyl)-3-(pyridin-3-ylmethyl)urea |
| OpenEye OEToolkits | 1.9.2 | 1-(2-chlorophenyl)-3-(pyridin-3-ylmethyl)urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(Cl)ccccc1NC(NCc2cnccc2)=O |
| InChI | InChI | 1.03 | InChI=1S/C13H12ClN3O/c14-11-5-1-2-6-12(11)17-13(18)16-9-10-4-3-7-15-8-10/h1-8H,9H2,(H2,16,17,18) |
| InChIKey | InChI | 1.03 | BYPMLXJTXCLBOI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccccc1NC(=O)NCc2cccnc2 |
| SMILES | CACTVS | 3.385 | Clc1ccccc1NC(=O)NCc2cccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(c(c1)NC(=O)NCc2cccnc2)Cl |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(c(c1)NC(=O)NCc2cccnc2)Cl |
