![1H-purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-[[4-(phenylmethyl)-4H-1,2,4-triazol-3-yl]thio]-](/api/spectrum/BijLk6vC6bL/structure.png?h=300&w=458 "1H-purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-[[4-(phenylmethyl)-4H-1,2,4-triazol-3-yl]thio]-")
| SpectraBase Compound ID | CQOmZiktsEL |
|---|---|
| InChI | InChI=1S/C17H17N7O2S/c1-21-12-13(22(2)17(26)23(3)14(12)25)19-15(21)27-16-20-18-10-24(16)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3 |
| InChIKey | PWXYPRMRXNDBMC-UHFFFAOYSA-N |
| Mol Weight | 383.43 g/mol |
| Molecular Formula | C17H17N7O2S |
| Exact Mass | 383.116444 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BijLk6vC6bL |
|---|---|
| Name | 1,3,7-trimethyl-8-[[4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]purine-2,6-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H17N7O2S |
| InChI | InChI=1S/C17H17N7O2S/c1-21-12-13(22(2)17(26)23(3)14(12)25)19-15(21)27-16-20-18-10-24(16)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3 |
| InChIKey | PWXYPRMRXNDBMC-UHFFFAOYSA-N |
| Molecular Weight | 383.430 g/mol |
| SMILES | c12c(C(=O)N(C(N2C)=O)C)[n](C)c(n1)Sc1[n](cnn1)Cc1ccccc1 |
| SPLASH | splash10-000x-9322000000-58444846f111178bf1d0 |
| Synonyms | 1,3,7-trimethyl-8-[[4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]purine-2,6-dione 8-[(4-benzyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,7-trimethyl-purine-2,6-dione 8-[(4-benzyl-1,2,4-triazol-3-yl)thio]-1,3,7-trimethyl-xanthine 8-[(4-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Wiley ID | 1452970 |