48O
Summary
| Name: | 5'-deoxy-5'-{[(2S)-2-(triaza-1,2-dien-2-ium-1-yl)propanoyl]amino}uridine |
| Formula: | C12 H17 N6 O6 |
| Formal charge: | 1 |
| Formula weight: | 341.3 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5'-deoxy-5'-{[(2S)-2-(triaza-1,2-dien-2-ium-1-yl)propanoyl]amino}uridine |
| OpenEye OEToolkits | 1.7.6 | azanylidene-[1-[[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-1-oxidanylidene-propan-2-yl]imino-azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)CNC(=O)C(/N=[N+]=[N@H])C |
| InChI | InChI | 1.03 | InChI=1S/C12H16N6O6/c1-5(16-17-13)10(22)14-4-6-8(20)9(21)11(24-6)18-3-2-7(19)15-12(18)23/h2-3,5-6,8-9,11,13,20-21H,4H2,1H3,(H-,14,15,19,22,23)/p+1/t5-,6+,8+,9+,11+/m0/s1 |
| InChIKey | InChI | 1.03 | BMVPLHCMGOWMGY-DANLAGSESA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](N=[N+]=N)C(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC(=O)NC2=O |
| SMILES | CACTVS | 3.385 | C[CH](N=[N+]=N)C(=O)NC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)N=[N+]=N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C(=O)NCC1C(C(C(O1)N2C=CC(=O)NC2=O)O)O)N=[N+]=N |
