DUA
Summary
| Name: | 2',5'-dideoxy-5'-(tritylamino)uridine |
| Formula: | C28 H27 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 469.532 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2',5'-dideoxy-5'-(tritylamino)uridine |
| OpenEye OEToolkits | 1.7.2 | 1-[(2R,4S,5R)-4-oxidanyl-5-[[(triphenylmethyl)amino]methyl]oxolan-2-yl]pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1NC(=O)N(C=C1)C2OC(C(O)C2)CNC(c3ccccc3)(c4ccccc4)c5ccccc5 |
| InChI | InChI | 1.03 | InChI=1S/C28H27N3O4/c32-23-18-26(31-17-16-25(33)30-27(31)34)35-24(23)19-29-28(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17,23-24,26,29,32H,18-19H2,(H,30,33,34)/t23-,24+,26+/m0/s1 |
| InChIKey | InChI | 1.03 | TUZNCXRMWDUVNX-BFLUCZKCSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O[C@H]1C[C@@H](O[C@@H]1CNC(c2ccccc2)(c3ccccc3)c4ccccc4)N5C=CC(=O)NC5=O |
| SMILES | CACTVS | 3.370 | O[CH]1C[CH](O[CH]1CNC(c2ccccc2)(c3ccccc3)c4ccccc4)N5C=CC(=O)NC5=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)C(c2ccccc2)(c3ccccc3)NC[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=O)NC5=O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)C(c2ccccc2)(c3ccccc3)NCC4C(CC(O4)N5C=CC(=O)NC5=O)O |
