H0S
Summary
| Name: | N-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| Formula: | C12 H11 N5 |
| Formal charge: | 0 |
| Formula weight: | 225.249 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| OpenEye OEToolkits | 2.0.6 | ~{N}-(4-methylphenyl)-1~{H}-pyrazolo[3,4-d]pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(c1ncnc2nncc12)c3ccc(cc3)C |
| InChI | InChI | 1.03 | InChI=1S/C12H11N5/c1-8-2-4-9(5-3-8)16-11-10-6-15-17-12(10)14-7-13-11/h2-7H,1H3,(H2,13,14,15,16,17) |
| InChIKey | InChI | 1.03 | TZIUGCYEFCFJRQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(Nc2ncnc3[nH]ncc23)cc1 |
| SMILES | CACTVS | 3.385 | Cc1ccc(Nc2ncnc3[nH]ncc23)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1)Nc2c3cn[nH]c3ncn2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1)Nc2c3cn[nH]c3ncn2 |
