AO9
Summary
| Name: | 5'-deoxy-5'-[(imidazo[2,1-b][1,3]thiazol-5-ylcarbonyl)amino]cytidine |
| Formula: | C15 H16 N6 O5 S |
| Formal charge: | 0 |
| Formula weight: | 392.39 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5'-deoxy-5'-[(imidazo[2,1-b][1,3]thiazol-5-ylcarbonyl)amino]cytidine |
| OpenEye OEToolkits | 1.7.0 | N-[[(2R,3S,4R,5R)-5-(4-azanyl-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1N=C(N)C=CN1C2OC(C(O)C2O)CNC(=O)c3cnc4sccn34 |
| SMILES_CANONICAL | CACTVS | 3.370 | NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CNC(=O)c3cnc4sccn34)[C@@H](O)[C@H]2O |
| SMILES | CACTVS | 3.370 | NC1=NC(=O)N(C=C1)[CH]2O[CH](CNC(=O)c3cnc4sccn34)[CH](O)[CH]2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1csc2n1c(cn2)C(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=NC4=O)N)O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1csc2n1c(cn2)C(=O)NCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)O |
| InChI | InChI | 1.03 | InChI=1S/C15H16N6O5S/c16-9-1-2-21(14(25)19-9)13-11(23)10(22)8(26-13)6-17-12(24)7-5-18-15-20(7)3-4-27-15/h1-5,8,10-11,13,22-23H,6H2,(H,17,24)(H2,16,19,25)/t8-,10-,11-,13-/m1/s1 |
| InChIKey | InChI | 1.03 | NPCKGXDYODQBDY-UORFTKCHSA-N |
