OBG
Summary
| Name: | 6-(benzyloxy)-9H-purin-2-amine |
| Synonyms: | o6-benzylguanine |
| Formula: | C12 H11 N5 O |
| Formal charge: | 0 |
| Formula weight: | 241.249 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 6-phenylmethoxy-9H-purin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | Nc1nc2[nH]cnc2c(OCc3ccccc3)n1 |
| SMILES | CACTVS | 3.352 | Nc1nc2[nH]cnc2c(OCc3ccccc3)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)COc2c3c([nH]cn3)nc(n2)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)COc2c3c([nH]cn3)nc(n2)N |
| InChI | InChI | 1.03 | InChI=1S/C12H11N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17) |
| InChIKey | InChI | 1.03 | KRWMERLEINMZFT-UHFFFAOYSA-N |
