GQ3
Summary
| Name: | 9-[(3-tert-butyl-1,2-oxazol-5-yl)methyl]-6-chloranyl-purin-2-amine |
| Formula: | C13 H17 Cl N6 O |
| Formal charge: | 0 |
| Formula weight: | 308.767 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 9-[(3-~{tert}-butyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-6-chloranyl-purin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H17ClN6O/c1-13(2,3)8-4-7(21-19-8)5-20-6-16-9-10(14)17-12(15)18-11(9)20/h6-7H,4-5H2,1-3H3,(H2,15,17,18)/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | ZOBMBYDYMBXBEP-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)C1=NO[C@@H](Cn2cnc3c(Cl)nc(N)nc23)C1 |
| SMILES | CACTVS | 3.385 | CC(C)(C)C1=NO[CH](Cn2cnc3c(Cl)nc(N)nc23)C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)C1=NOC(C1)Cn2cnc3c2nc(nc3Cl)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)C1=NOC(C1)Cn2cnc3c2nc(nc3Cl)N |
