GOU
Summary
| Name: | 6-chloranyl-9-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]purin-2-amine |
| Formula: | C12 H13 Cl N6 O |
| Formal charge: | 0 |
| Formula weight: | 292.724 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-chloranyl-9-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]purin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H13ClN6O/c1-6(2)8-3-7(20-18-8)4-19-5-15-9-10(13)16-12(14)17-11(9)19/h3,5-6H,4H2,1-2H3,(H2,14,16,17) |
| InChIKey | InChI | 1.03 | LLJVEUPHZCRERN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1cc(Cn2cnc3c(Cl)nc(N)nc23)on1 |
| SMILES | CACTVS | 3.385 | CC(C)c1cc(Cn2cnc3c(Cl)nc(N)nc23)on1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)c1cc(on1)Cn2cnc3c2nc(nc3Cl)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)c1cc(on1)Cn2cnc3c2nc(nc3Cl)N |
