JXE
Summary
| Name: | 8-bromanyl-9-(4-bromanylbutyl)purin-6-amine |
| Formula: | C9 H11 Br2 N5 |
| Formal charge: | 0 |
| Formula weight: | 349.025 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 8-bromanyl-9-(4-bromanylbutyl)purin-6-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H11Br2N5/c10-3-1-2-4-16-8-6(15-9(16)11)7(12)13-5-14-8/h5H,1-4H2,(H2,12,13,14) |
| InChIKey | InChI | 1.03 | VZDKFJGKRZGJKU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncnc2n(CCCCBr)c(Br)nc12 |
| SMILES | CACTVS | 3.385 | Nc1ncnc2n(CCCCBr)c(Br)nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1nc(c2c(n1)n(c(n2)Br)CCCCBr)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1nc(c2c(n1)n(c(n2)Br)CCCCBr)N |
