LE4
Summary
| Name: | [2-(cycloheptylamino)pyrimidin-4-yl]methanol |
| Formula: | C12 H19 N3 O |
| Formal charge: | 0 |
| Formula weight: | 221.299 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [2-(cycloheptylamino)pyrimidin-4-yl]methanol |
| OpenEye OEToolkits | 2.0.6 | [2-(cycloheptylamino)pyrimidin-4-yl]methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(nc(CO)cc1)NC2CCCCCC2 |
| InChI | InChI | 1.03 | InChI=1S/C12H19N3O/c16-9-11-7-8-13-12(15-11)14-10-5-3-1-2-4-6-10/h7-8,10,16H,1-6,9H2,(H,13,14,15) |
| InChIKey | InChI | 1.03 | PZZOPLADVYBJMO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCc1ccnc(NC2CCCCCC2)n1 |
| SMILES | CACTVS | 3.385 | OCc1ccnc(NC2CCCCCC2)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cnc(nc1CO)NC2CCCCCC2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cnc(nc1CO)NC2CCCCCC2 |
