FK0
Summary
| Name: | 2-azanyl-9-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-chloranyl-purin-8-ol |
| Formula: | C12 H8 Br Cl F N5 O |
| Formal charge: | 0 |
| Formula weight: | 372.58 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-9-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-chloranyl-purin-8-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H8BrClFN5O/c13-6-2-1-5(7(15)3-6)4-20-10-8(17-12(20)21)9(14)18-11(16)19-10/h1-3H,4H2,(H,17,21)(H2,16,18,19) |
| InChIKey | InChI | 1.03 | CCUHAWKQXDIYIR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc(Cl)c2nc(O)n(Cc3ccc(Br)cc3F)c2n1 |
| SMILES | CACTVS | 3.385 | Nc1nc(Cl)c2nc(O)n(Cc3ccc(Br)cc3F)c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1Br)F)Cn2c3c(c(nc(n3)N)Cl)nc2O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1Br)F)Cn2c3c(c(nc(n3)N)Cl)nc2O |
