A1IJI
Summary
| Name: | 1-(1-methylpiperidin-4-yl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine |
| Formula: | C21 H28 N6 O |
| Formal charge: | 0 |
| Formula weight: | 380.487 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-(1-methylpiperidin-4-yl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H28N6O/c1-21(2,3)28-16-7-5-14(6-8-16)18-17-19(22)23-13-24-20(17)27(25-18)15-9-11-26(4)12-10-15/h5-8,13,15H,9-12H2,1-4H3,(H2,22,23,24) |
| InChIKey | InChI | 1.06 | QVHDSGJMUBFNQB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCC(CC1)n2nc(c3ccc(OC(C)(C)C)cc3)c4c(N)ncnc24 |
| SMILES | CACTVS | 3.385 | CN1CCC(CC1)n2nc(c3ccc(OC(C)(C)C)cc3)c4c(N)ncnc24 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)Oc1ccc(cc1)c2c3c(ncnc3n(n2)C4CCN(CC4)C)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)Oc1ccc(cc1)c2c3c(ncnc3n(n2)C4CCN(CC4)C)N |
