7UH
Summary
| Name: | Doxofylline |
| Synonyms: | 7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethyl-purine-2,6-dione |
| Formula: | C11 H14 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 266.253 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethyl-purine-2,6-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H14N4O4/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)5-7-18-3-4-19-7/h6-7H,3-5H2,1-2H3 |
| InChIKey | InChI | 1.03 | HWXIGFIVGWUZAO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)N(C)c2ncn(CC3OCCO3)c2C1=O |
| SMILES | CACTVS | 3.385 | CN1C(=O)N(C)c2ncn(CC3OCCO3)c2C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1c2c(n(cn2)CC3OCCO3)C(=O)N(C1=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1c2c(n(cn2)CC3OCCO3)C(=O)N(C1=O)C |
