D07
Summary
| Name: | 6-chloro-N,1-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| Formula: | C7 H8 Cl N5 |
| Formal charge: | 0 |
| Formula weight: | 197.625 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-chloro-N,1-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| OpenEye OEToolkits | 2.0.6 | 6-chloranyl-~{N},1-dimethyl-pyrazolo[3,4-d]pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cn1c2nc(Cl)nc(NC)c2cn1 |
| InChI | InChI | 1.03 | InChI=1S/C7H8ClN5/c1-9-5-4-3-10-13(2)6(4)12-7(8)11-5/h3H,1-2H3,(H,9,11,12) |
| InChIKey | InChI | 1.03 | KTBJQNWGZYGMEI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1nc(Cl)nc2n(C)ncc12 |
| SMILES | CACTVS | 3.385 | CNc1nc(Cl)nc2n(C)ncc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CNc1c2cnn(c2nc(n1)Cl)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CNc1c2cnn(c2nc(n1)Cl)C |
