Q9P
Summary
| Name: | Azolopyrimidine |
| Formula: | C12 H9 Cl N4 O |
| Formal charge: | 0 |
| Formula weight: | 260.679 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 5-chloranyl-6-(phenylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H9ClN4O/c13-10-9(6-8-4-2-1-3-5-8)11(18)17-12(16-10)14-7-15-17/h1-5,7,18H,6H2 |
| InChIKey | InChI | 1.03 | AFMPXANNRQOFLA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1n2ncnc2nc(Cl)c1Cc3ccccc3 |
| SMILES | CACTVS | 3.385 | Oc1n2ncnc2nc(Cl)c1Cc3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)Cc2c(nc3ncnn3c2O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)Cc2c(nc3ncnn3c2O)Cl |
