FJX
Summary
| Name: | 2-azanyl-9-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-6-chloranyl-purin-8-ol |
| Formula: | C13 H9 Br Cl N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 398.599 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-9-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-6-chloranyl-purin-8-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H9BrClN5O3/c14-6-2-8-7(22-4-23-8)1-5(6)3-20-11-9(17-13(20)21)10(15)18-12(16)19-11/h1-2H,3-4H2,(H,17,21)(H2,16,18,19) |
| InChIKey | InChI | 1.03 | JGUUSDOBVPWHAQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc(Cl)c2nc(O)n(Cc3cc4OCOc4cc3Br)c2n1 |
| SMILES | CACTVS | 3.385 | Nc1nc(Cl)c2nc(O)n(Cc3cc4OCOc4cc3Br)c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(c(cc2c1OCO2)Br)Cn3c4c(c(nc(n4)N)Cl)nc3O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(c(cc2c1OCO2)Br)Cn3c4c(c(nc(n4)N)Cl)nc3O |
