FEU
Summary
| Name: | 4-chloranyl-1-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine |
| Formula: | C14 H11 Cl F3 N5 O |
| Formal charge: | 0 |
| Formula weight: | 357.718 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-chloranyl-1-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H11ClF3N5O/c1-24-10-4-8(14(16,17)18)3-2-7(10)6-23-12-9(5-20-23)11(15)21-13(19)22-12/h2-5H,6H2,1H3,(H2,19,21,22) |
| InChIKey | InChI | 1.03 | CRNFGOLKBZYMGM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(ccc1Cn2ncc3c(Cl)nc(N)nc23)C(F)(F)F |
| SMILES | CACTVS | 3.385 | COc1cc(ccc1Cn2ncc3c(Cl)nc(N)nc23)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc(ccc1Cn2c3c(cn2)c(nc(n3)N)Cl)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(ccc1Cn2c3c(cn2)c(nc(n3)N)Cl)C(F)(F)F |
