829
Summary
| Name: | 5'-deoxy-5'-[(pyridin-4-ylcarbonyl)amino]cytidine |
| Formula: | C15 H17 N5 O5 |
| Formal charge: | 0 |
| Formula weight: | 347.326 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | 5'-deoxy-5'-[(pyridin-4-ylcarbonyl)amino]cytidine |
| OpenEye OEToolkits | 1.6.1 | N-[[(2R,3S,4R,5R)-5-(4-azanyl-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl]pyridine-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=C1N=C(N)C=CN1C2OC(C(O)C2O)CNC(=O)c3ccncc3 |
| SMILES_CANONICAL | CACTVS | 3.352 | NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CNC(=O)c3ccncc3)[C@@H](O)[C@H]2O |
| SMILES | CACTVS | 3.352 | NC1=NC(=O)N(C=C1)[CH]2O[CH](CNC(=O)c3ccncc3)[CH](O)[CH]2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cnccc1C(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cnccc1C(=O)NCC2C(C(C(O2)N3C=CC(=NC3=O)N)O)O |
| InChI | InChI | 1.03 | InChI=1S/C15H17N5O5/c16-10-3-6-20(15(24)19-10)14-12(22)11(21)9(25-14)7-18-13(23)8-1-4-17-5-2-8/h1-6,9,11-12,14,21-22H,7H2,(H,18,23)(H2,16,19,24)/t9-,11-,12-,14-/m1/s1 |
| InChIKey | InChI | 1.03 | XQXWUTWGJVGDNS-XIDUGBJDSA-N |
