U3S
Summary
| Name: | 1-(5-deoxy-5-piperidin-1-yl-alpha-L-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione |
| Formula: | C14 H21 N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 311.334 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-(5-deoxy-5-piperidin-1-yl-alpha-L-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione |
| OpenEye OEToolkits | 1.5.0 | 1-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(piperidin-1-ylmethyl)oxolan-2-yl]pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)CN3CCCCC3 |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@@H]1[C@@H](O)[C@@H](O[C@H]1CN2CCCCC2)N3C=CC(=O)NC3=O |
| SMILES | CACTVS | 3.341 | O[CH]1[CH](O)[CH](O[CH]1CN2CCCCC2)N3C=CC(=O)NC3=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1CCN(CC1)C[C@H]2[C@@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1CCN(CC1)CC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C14H21N3O5/c18-10-4-7-17(14(21)15-10)13-12(20)11(19)9(22-13)8-16-5-2-1-3-6-16/h4,7,9,11-13,19-20H,1-3,5-6,8H2,(H,15,18,21)/t9-,11-,12+,13+/m0/s1 |
| InChIKey | InChI | 1.03 | PJCAMYRNNJAIMT-FTYKPCCVSA-N |
