RSU
Summary
| Name: | (2~{R})-2-[[6-(3-phenylpropylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol |
| Formula: | C21 H30 N6 O |
| Formal charge: | 0 |
| Formula weight: | 382.503 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | (2~{R})-2-[[6-(3-phenylpropylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H30N6O/c1-4-17(13-28)24-21-25-19(18-20(26-21)27(14-23-18)15(2)3)22-12-8-11-16-9-6-5-7-10-16/h5-7,9-10,14-15,17,28H,4,8,11-13H2,1-3H3,(H2,22,24,25,26)/t17-/m1/s1 |
| InChIKey | InChI | 1.06 | HXKIFNLNVMCGAG-QGZVFWFLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H](CO)Nc1nc(NCCCc2ccccc2)c3ncn(C(C)C)c3n1 |
| SMILES | CACTVS | 3.385 | CC[CH](CO)Nc1nc(NCCCc2ccccc2)c3ncn(C(C)C)c3n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCCCc3ccccc3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCC(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCCCc3ccccc3 |
