4GU
Summary
| Name: | N-(2-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| Formula: | C11 H8 F N5 |
| Formal charge: | 0 |
| Formula weight: | 229.213 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(2-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| OpenEye OEToolkits | 1.7.6 | N-(2-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1ccccc1Nc2ncnc3c2cnn3 |
| InChI | InChI | 1.03 | InChI=1S/C11H8FN5/c12-8-3-1-2-4-9(8)16-10-7-5-15-17-11(7)14-6-13-10/h1-6H,(H2,13,14,15,16,17) |
| InChIKey | InChI | 1.03 | MEYYGZBRFGDWPZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Fc1ccccc1Nc2ncnc3[nH]ncc23 |
| SMILES | CACTVS | 3.370 | Fc1ccccc1Nc2ncnc3[nH]ncc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)Nc2c3cn[nH]c3ncn2)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)Nc2c3cn[nH]c3ncn2)F |
