JYW
Summary
| Name: | 4-(6-azanyl-8-bromanyl-purin-9-yl)butan-1-ol |
| Formula: | C9 H12 Br N5 O |
| Formal charge: | 0 |
| Formula weight: | 286.128 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(6-azanyl-8-bromanyl-purin-9-yl)butan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H12BrN5O/c10-9-14-6-7(11)12-5-13-8(6)15(9)3-1-2-4-16/h5,16H,1-4H2,(H2,11,12,13) |
| InChIKey | InChI | 1.03 | XPHFIISDJKTZOQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncnc2n(CCCCO)c(Br)nc12 |
| SMILES | CACTVS | 3.385 | Nc1ncnc2n(CCCCO)c(Br)nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1nc(c2c(n1)n(c(n2)Br)CCCCO)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1nc(c2c(n1)n(c(n2)Br)CCCCO)N |
