RYF
Summary
| Name: | ~{N}-(4-iodophenyl)-1~{H}-pyrazolo[3,4-d]pyrimidin-4-amine |
| Formula: | C11 H8 I N5 |
| Formal charge: | 0 |
| Formula weight: | 337.119 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-(4-iodophenyl)-1~{H}-pyrazolo[3,4-d]pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H8IN5/c12-7-1-3-8(4-2-7)16-10-9-5-15-17-11(9)14-6-13-10/h1-6H,(H2,13,14,15,16,17) |
| InChIKey | InChI | 1.06 | QSDMHOAEIDKWQL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Ic1ccc(Nc2ncnc3[nH]ncc23)cc1 |
| SMILES | CACTVS | 3.385 | Ic1ccc(Nc2ncnc3[nH]ncc23)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1Nc2c3cn[nH]c3ncn2)I |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1Nc2c3cn[nH]c3ncn2)I |
