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 |