B5A
Summary
| Name: | 1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| Formula: | C11 H16 N6 |
| Formal charge: | 0 |
| Formula weight: | 232.285 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| OpenEye OEToolkits | 1.7.6 | 1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(c2c(nc1)n(nc2)CC3CCNCC3)N |
| InChI | InChI | 1.03 | InChI=1S/C11H16N6/c12-10-9-5-16-17(11(9)15-7-14-10)6-8-1-3-13-4-2-8/h5,7-8,13H,1-4,6H2,(H2,12,14,15) |
| InChIKey | InChI | 1.03 | WIWYTHZSXOQVGK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1ncnc2n(CC3CCNCC3)ncc12 |
| SMILES | CACTVS | 3.370 | Nc1ncnc2n(CC3CCNCC3)ncc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c2c(ncnc2n(n1)CC3CCNCC3)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c2c(ncnc2n(n1)CC3CCNCC3)N |
