5SL
Summary
| Name: | ~{N}-[(1~{S},3~{S})-3-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1~{H}-pyrazolo[3,4-d]pyrimidin-4-amine |
| Formula: | C20 H21 N7 O |
| Formal charge: | 0 |
| Formula weight: | 375.427 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | ~{N}-[(1~{S},3~{S})-3-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1~{H}-pyrazolo[3,4-d]pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H21N7O/c1-12-2-4-13(5-3-12)8-17-25-20(28-27-17)14-6-7-15(9-14)24-18-16-10-23-26-19(16)22-11-21-18/h2-5,10-11,14-15H,6-9H2,1H3,(H2,21,22,23,24,26)/t14-,15-/m0/s1 |
| InChIKey | InChI | 1.03 | JTKNIJDRSHYXLX-GJZGRUSLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(Cc2noc(n2)[C@H]3CC[C@@H](C3)Nc4ncnc5[nH]ncc45)cc1 |
| SMILES | CACTVS | 3.385 | Cc1ccc(Cc2noc(n2)[CH]3CC[CH](C3)Nc4ncnc5[nH]ncc45)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1ccc(cc1)Cc2nc(on2)[C@H]3CC[C@@H](C3)Nc4c5cn[nH]c5ncn4 |
| SMILES | OpenEye OEToolkits | 2.0.4 | Cc1ccc(cc1)Cc2nc(on2)C3CCC(C3)Nc4c5cn[nH]c5ncn4 |
