9VW
Summary
| Name: | 1-cyclohexyl-3-(pyridin-3-ylmethyl)urea |
| Formula: | C13 H19 N3 O |
| Formal charge: | 0 |
| Formula weight: | 233.309 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 1-cyclohexyl-3-(pyridin-3-ylmethyl)urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H19N3O/c17-13(16-12-6-2-1-3-7-12)15-10-11-5-4-8-14-9-11/h4-5,8-9,12H,1-3,6-7,10H2,(H2,15,16,17) |
| InChIKey | InChI | 1.03 | XXSTXXTVGPRZSU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCc1cccnc1)NC2CCCCC2 |
| SMILES | CACTVS | 3.385 | O=C(NCc1cccnc1)NC2CCCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cnc1)CNC(=O)NC2CCCCC2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cnc1)CNC(=O)NC2CCCCC2 |
