JYK
Summary
| Name: | 9-(2-azidoethyl)-8-bromanyl-purin-6-amine |
| Formula: | C7 H7 Br N8 |
| Formal charge: | 0 |
| Formula weight: | 283.088 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 9-(2-azidoethyl)-8-bromanyl-purin-6-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H7BrN8/c8-7-14-4-5(9)11-3-12-6(4)16(7)2-1-13-15-10/h3H,1-2H2,(H2,9,11,12) |
| InChIKey | InChI | 1.03 | LMIPSSRPSGTFEB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncnc2n(CCN=[N+]=[N-])c(Br)nc12 |
| SMILES | CACTVS | 3.385 | Nc1ncnc2n(CCN=[N+]=[N-])c(Br)nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1nc(c2c(n1)n(c(n2)Br)CCN=[N+]=[N-])N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1nc(c2c(n1)n(c(n2)Br)CCN=[N+]=[N-])N |
