| SpectraBase Compound ID | IEML0J1ZjrX |
|---|---|
| InChI | InChI=1S/C7H8N4O3/c1-10-4-3(8-6(13)9-4)5(12)11(2)7(10)14/h1-2H3,(H2,8,9,13) |
| InChIKey | OTSBKHHWSQYEHK-UHFFFAOYSA-N |
| Mol Weight | 196.17 g/mol |
| Molecular Formula | C7H8N4O3 |
| Exact Mass | 196.05964 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Ceo6iH3hUYC |
|---|---|
| Name | 1,3-Dimethyluric acid |
| Alternate Name(s) | Oxytheophylline 1,3-Dimethylurate Uric acid, 1,3-dimethyl- 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-1,3-dimethyl- 1,3-Dimethyl-2,6,8-trihydroxypurine 1,3-Dimethyl-7,9-dihydropurine-2,6,8-trione 1,3-Dimethyl-7,9-dihydro-3H-purine-2,6,8-trione 7,9-Dihydro-1,3-dimethyl-1H-purine-2,6,8(3H)-trione 1,3-Dimethyl-1,3,7-trihydropurine-2,6,8-trione 1H-Purine-2,6,8(3H)-trione, 7,9-dihydrodimethyl- 1,3-Dimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione 1H-Purine-2,6,8(3H)-trione,7,9-dihydro-1,3-dimethyl- 1H-Purine-2,8(3H)-trione, 7,9-dihydro-1,3-dimethyl- 1,3-Dimethyl-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione |
| CAS Registry Number | 944-73-0 |
| Comments | Structure changed after expert review |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H8N4O3 |
| InChI | InChI=1S/C7H8N4O3/c1-10-4-3(8-6(13)9-4)5(12)11(2)7(10)14/h1-2H3,(H2,8,9,13) |
| InChIKey | OTSBKHHWSQYEHK-UHFFFAOYSA-N |
| Molecular Weight | 196.166 g/mol |
| SMILES | N1C(NC=2C(=O)N(C)C(=O)N(C12)C)=O |
| SPLASH | splash10-0002-6900000000-1c7acc824b5c3226ee9b |
| Source of Spectrum | EP-1888-0-0 |
| Wiley ID | 1192505 |