43U
Summary
| Name: | 6-(5-bromo-2-methoxyphenyl)-9H-purin-2-amine |
| Formula: | C12 H10 Br N5 O |
| Formal charge: | 0 |
| Formula weight: | 320.145 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-(5-bromo-2-methoxyphenyl)-9H-purin-2-amine |
| OpenEye OEToolkits | 1.9.2 | 6-(5-bromanyl-2-methoxy-phenyl)-9H-purin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc3cc(c2nc(nc1c2ncn1)N)c(OC)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C12H10BrN5O/c1-19-8-3-2-6(13)4-7(8)9-10-11(16-5-15-10)18-12(14)17-9/h2-5H,1H3,(H3,14,15,16,17,18) |
| InChIKey | InChI | 1.03 | KDNVOUMYSICLPF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(Br)cc1c2nc(N)nc3[nH]cnc23 |
| SMILES | CACTVS | 3.385 | COc1ccc(Br)cc1c2nc(N)nc3[nH]cnc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | COc1ccc(cc1c2c3c([nH]cn3)nc(n2)N)Br |
| SMILES | OpenEye OEToolkits | 1.9.2 | COc1ccc(cc1c2c3c([nH]cn3)nc(n2)N)Br |
