J3H
Summary
| Name: | 1-[(3~{R})-3-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]propan-1-one |
| Formula: | C13 H18 N6 O |
| Formal charge: | 0 |
| Formula weight: | 274.322 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 1-[(3~{R})-3-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]propan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H18N6O/c1-2-11(20)18-5-3-4-9(7-18)19-13-10(6-17-19)12(14)15-8-16-13/h6,8-9H,2-5,7H2,1H3,(H2,14,15,16)/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | VODQVZMDWITJDU-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)N1CCC[C@H](C1)n2ncc3c(N)ncnc23 |
| SMILES | CACTVS | 3.385 | CCC(=O)N1CCC[CH](C1)n2ncc3c(N)ncnc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCC(=O)N1CCC[C@H](C1)n2c3c(cn2)c(ncn3)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCC(=O)N1CCCC(C1)n2c3c(cn2)c(ncn3)N |
