H8Z
Summary
| Name: | 1-[(3~{R})-3-(4-azanyl-3-ethynyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]prop-2-en-1-one |
| Formula: | C15 H16 N6 O |
| Formal charge: | 0 |
| Formula weight: | 296.327 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 1-[(3~{R})-3-(4-azanyl-3-ethynyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]prop-2-en-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H16N6O/c1-3-11-13-14(16)17-9-18-15(13)21(19-11)10-6-5-7-20(8-10)12(22)4-2/h1,4,9-10H,2,5-8H2,(H2,16,17,18)/t10-/m1/s1 |
| InChIKey | InChI | 1.03 | XXFDMGXYEIKFNZ-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncnc2n(nc(C#C)c12)[C@@H]3CCCN(C3)C(=O)C=C |
| SMILES | CACTVS | 3.385 | Nc1ncnc2n(nc(C#C)c12)[CH]3CCCN(C3)C(=O)C=C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C=CC(=O)N1CCC[C@H](C1)n2c3c(c(n2)C#C)c(ncn3)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | C=CC(=O)N1CCCC(C1)n2c3c(c(n2)C#C)c(ncn3)N |
