GUB
Summary
| Name: | 9-alpha-L-lyxofuranosyl-N-(2-phenylethyl)-9H-purin-6-amine |
| Formula: | C18 H21 N5 O4 |
| Formal charge: | 0 |
| Formula weight: | 371.39 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 9-alpha-L-lyxofuranosyl-N-(2-phenylethyl)-9H-purin-6-amine |
| OpenEye OEToolkits | 1.5.0 | (2S,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(phenethylamino)purin-9-yl]oxolane-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)NCCc4ccccc4 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(NCCc4ccccc4)ncnc23 |
| SMILES | CACTVS | 3.341 | OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(NCCc4ccccc4)ncnc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CCNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@@H](O4)CO)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CCNc2c3c(ncn2)n(cn3)C4C(C(C(O4)CO)O)O |
| InChI | InChI | 1.03 | InChI=1S/C18H21N5O4/c24-8-12-14(25)15(26)18(27-12)23-10-22-13-16(20-9-21-17(13)23)19-7-6-11-4-2-1-3-5-11/h1-5,9-10,12,14-15,18,24-26H,6-8H2,(H,19,20,21)/t12-,14+,15+,18+/m0/s1 |
| InChIKey | InChI | 1.03 | LGZYEDZSPHLISU-KDQZPGIASA-N |
