9WE
Summary
| Name: | 1-(pyridin-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea |
| Formula: | C16 H20 N6 O |
| Formal charge: | 0 |
| Formula weight: | 312.37 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 1-(pyridin-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H20N6O/c23-16(20-12-13-3-1-6-17-11-13)21-14-4-9-22(10-5-14)15-18-7-2-8-19-15/h1-3,6-8,11,14H,4-5,9-10,12H2,(H2,20,21,23) |
| InChIKey | InChI | 1.03 | GHIMGULMAMLLAJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCc1cccnc1)NC2CCN(CC2)c3ncccn3 |
| SMILES | CACTVS | 3.385 | O=C(NCc1cccnc1)NC2CCN(CC2)c3ncccn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cnc1)CNC(=O)NC2CCN(CC2)c3ncccn3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cnc1)CNC(=O)NC2CCN(CC2)c3ncccn3 |
