DU2
Summary
| Name: | 2',5'-dideoxy-5'-{[(R)-(1-methyl-1H-imidazol-2-yl)(phenyl)methyl]amino}uridine |
| Formula: | C20 H23 N5 O4 |
| Formal charge: | 0 |
| Formula weight: | 397.428 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2',5'-dideoxy-5'-{[(R)-(1-methyl-1H-imidazol-2-yl)(phenyl)methyl]amino}uridine |
| OpenEye OEToolkits | 1.7.2 | 1-[(2R,4S,5R)-5-[[[(1-methylimidazol-2-yl)-phenyl-methyl]amino]methyl]-4-oxidanyl-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)c4nccn4C |
| InChI | InChI | 1.03 | InChI=1S/C20H23N5O4/c1-24-10-8-21-19(24)18(13-5-3-2-4-6-13)22-12-15-14(26)11-17(29-15)25-9-7-16(27)23-20(25)28/h2-10,14-15,17-18,22,26H,11-12H2,1H3,(H,23,27,28)/t14-,15+,17+,18?/m0/s1 |
| InChIKey | InChI | 1.03 | KPWKGDCQLFIJMC-URHIDPGUSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cn1ccnc1[C@H](NC[C@H]2O[C@H](C[C@@H]2O)N3C=CC(=O)NC3=O)c4ccccc4 |
| SMILES | CACTVS | 3.370 | Cn1ccnc1[CH](NC[CH]2O[CH](C[CH]2O)N3C=CC(=O)NC3=O)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | Cn1ccnc1C(c2ccccc2)NC[C@@H]3[C@H](C[C@@H](O3)N4C=CC(=O)NC4=O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | Cn1ccnc1C(c2ccccc2)NCC3C(CC(O3)N4C=CC(=O)NC4=O)O |
