JXB
Summary
| Name: | 9-(4-azidobutyl)-8-bromanyl-purin-6-amine |
| Formula: | C9 H11 Br N8 |
| Formal charge: | 0 |
| Formula weight: | 311.141 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 9-(4-azidobutyl)-8-bromanyl-purin-6-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H11BrN8/c10-9-16-6-7(11)13-5-14-8(6)18(9)4-2-1-3-15-17-12/h5H,1-4H2,(H2,11,13,14) |
| InChIKey | InChI | 1.03 | UOIUSKVGBLVETF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncnc2n(CCCCN=[N+]=[N-])c(Br)nc12 |
| SMILES | CACTVS | 3.385 | Nc1ncnc2n(CCCCN=[N+]=[N-])c(Br)nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1nc(c2c(n1)n(c(n2)Br)CCCCN=[N+]=[N-])N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1nc(c2c(n1)n(c(n2)Br)CCCCN=[N+]=[N-])N |
