EQW
Summary
| Name: | 5-chloranyl-~{N}-(oxan-4-yl)pyrimidin-2-amine |
| Formula: | C9 H12 Cl N3 O |
| Formal charge: | 0 |
| Formula weight: | 213.664 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 5-chloranyl-~{N}-(oxan-4-yl)pyrimidin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H12ClN3O/c10-7-5-11-9(12-6-7)13-8-1-3-14-4-2-8/h5-6,8H,1-4H2,(H,11,12,13) |
| InChIKey | InChI | 1.03 | GHFICXAPEMOYEA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cnc(NC2CCOCC2)nc1 |
| SMILES | CACTVS | 3.385 | Clc1cnc(NC2CCOCC2)nc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1c(cnc(n1)NC2CCOCC2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1c(cnc(n1)NC2CCOCC2)Cl |
