A1EHT
Summary
| Name: | N4-Acetylcytidine |
| Formula: | C11 H15 N3 O6 |
| Formal charge: | 0 |
| Formula weight: | 285.253 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[1-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H15N3O6/c1-5(16)12-7-2-3-14(11(19)13-7)10-9(18)8(17)6(4-15)20-10/h2-3,6,8-10,15,17-18H,4H2,1H3,(H,12,13,16,19)/t6-,8-,9+,10-/m1/s1 |
| InChIKey | InChI | 1.06 | NIDVTARKFBZMOT-SFKDOBOXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O |
| SMILES | CACTVS | 3.385 | CC(=O)NC1=NC(=O)N(C=C1)[CH]2O[CH](CO)[CH](O)[CH]2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)O |
