GQ9
Summary
| Name: | 6-chloranyl-9-[(2-phenyl-1,3-oxazol-5-yl)methyl]purin-2-amine |
| Formula: | C15 H11 Cl N6 O |
| Formal charge: | 0 |
| Formula weight: | 326.74 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-chloranyl-9-[(2-phenyl-1,3-oxazol-5-yl)methyl]purin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H11ClN6O/c16-12-11-13(21-15(17)20-12)22(8-19-11)7-10-6-18-14(23-10)9-4-2-1-3-5-9/h1-6,8H,7H2,(H2,17,20,21) |
| InChIKey | InChI | 1.03 | UYTXWVZDCZPGRX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc(Cl)c2ncn(Cc3oc(nc3)c4ccccc4)c2n1 |
| SMILES | CACTVS | 3.385 | Nc1nc(Cl)c2ncn(Cc3oc(nc3)c4ccccc4)c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ncc(o2)Cn3cnc4c3nc(nc4Cl)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ncc(o2)Cn3cnc4c3nc(nc4Cl)N |
