RWE
Summary
| Name: | (2~{R})-2-[[6-(naphthalen-2-ylmethylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol |
| Formula: | C23 H28 N6 O |
| Formal charge: | 0 |
| Formula weight: | 404.508 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | (2~{R})-2-[[6-(naphthalen-2-ylmethylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C23H28N6O/c1-4-19(13-30)26-23-27-21(20-22(28-23)29(14-25-20)15(2)3)24-12-16-9-10-17-7-5-6-8-18(17)11-16/h5-11,14-15,19,30H,4,12-13H2,1-3H3,(H2,24,26,27,28)/t19-/m1/s1 |
| InChIKey | InChI | 1.06 | WKFFSBIHJSFZMR-LJQANCHMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H](CO)Nc1nc(NCc2ccc3ccccc3c2)c4ncn(C(C)C)c4n1 |
| SMILES | CACTVS | 3.385 | CC[CH](CO)Nc1nc(NCc2ccc3ccccc3c2)c4ncn(C(C)C)c4n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccc4ccccc4c3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCC(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccc4ccccc4c3 |
