S6U
Summary
| Name: | 2-(2-oxo-1,3-oxazolidin-3-yl)ethyl 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate |
| Formula: | C12 H12 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 276.248 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(2-oxo-1,3-oxazolidin-3-yl)ethyl 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate |
| OpenEye OEToolkits | 2.0.7 | 2-(2-oxidanylidene-1,3-oxazolidin-3-yl)ethyl 7~{H}-pyrrolo[2,3-d]pyrimidine-4-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1OCCN1CCOC(=O)c1ncnc2[NH]ccc21 |
| InChI | InChI | 1.06 | InChI=1S/C12H12N4O4/c17-11(19-5-3-16-4-6-20-12(16)18)9-8-1-2-13-10(8)15-7-14-9/h1-2,7H,3-6H2,(H,13,14,15) |
| InChIKey | InChI | 1.06 | RHERHAVCXHCXQJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1OCCN1CCOC(=O)c2ncnc3[nH]ccc23 |
| SMILES | CACTVS | 3.385 | O=C1OCCN1CCOC(=O)c2ncnc3[nH]ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c[nH]c2c1c(ncn2)C(=O)OCCN3CCOC3=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c[nH]c2c1c(ncn2)C(=O)OCCN3CCOC3=O |
