5P7
Summary
| Name: | (1S,2R,3R,5R)-3-(hydroxymethyl)-5-(quinazolin-4-ylamino)cyclopentane-1,2-diol |
| Formula: | C14 H17 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 275.303 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | (1S,2R,3R,5R)-3-(hydroxymethyl)-5-(quinazolin-4-ylamino)cyclopentane-1,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H17N3O3/c18-6-8-5-11(13(20)12(8)19)17-14-9-3-1-2-4-10(9)15-7-16-14/h1-4,7-8,11-13,18-20H,5-6H2,(H,15,16,17)/t8-,11-,12-,13+/m1/s1 |
| InChIKey | InChI | 1.03 | CXHFBVLYDOBWST-STRQVWJDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1C[C@@H](Nc2ncnc3ccccc23)[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1C[CH](Nc2ncnc3ccccc23)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(ncn2)N[C@@H]3C[C@@H]([C@H]([C@H]3O)O)CO |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(ncn2)NC3CC(C(C3O)O)CO |
