FE6
Summary
| Name: | 1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine |
| Formula: | C12 H8 Br Cl F N5 |
| Formal charge: | 0 |
| Formula weight: | 356.581 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H8BrClFN5/c13-7-2-1-6(9(15)3-7)5-20-11-8(4-17-20)10(14)18-12(16)19-11/h1-4H,5H2,(H2,16,18,19) |
| InChIKey | InChI | 1.03 | UKBISIPKUKNJKU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc(Cl)c2cnn(Cc3ccc(Br)cc3F)c2n1 |
| SMILES | CACTVS | 3.385 | Nc1nc(Cl)c2cnn(Cc3ccc(Br)cc3F)c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1Br)F)Cn2c3c(cn2)c(nc(n3)N)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1Br)F)Cn2c3c(cn2)c(nc(n3)N)Cl |
