Introduction:Basic information about CAS 1013991-11-1|3-methyl-7-(3-methylbutyl)-1-(2-oxopropyl)-8-(3,4,5-trimethylpyrazol-1-yl)-5H-purin, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-methyl-7-(3-methylbutyl)-1-(2-oxopropyl)-8-(3,4,5-trimethylpyrazol-1-yl)-5H-purin-7-ium-2,6-dione |
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| CAS Number | 1013991-11-1 | Molecular Weight | 401.5 |
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| Density | / | Boiling Point | / |
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| Molecular Formula | C20H29N6O3+ | Melting Point | / |
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| MSDS | / | Flash Point | / |
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Names
| Name | 3-methyl-7-(3-methylbutyl)-1-(2-oxopropyl)-8-(3,4,5-trimethylpyrazol-1-yl)-5H-purin-7-ium-2,6-dione |
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Chemical & Physical Properties
| Molecular Formula | C20H29N6O3+ |
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| Molecular Weight | 401.5 |
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| InChIKey | SNNHYSCJDGFYSP-UHFFFAOYSA-N |
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| SMILES | CC(=O)CN1C(=O)C2C(=NC(n3nc(C)c(C)c3C)=[N+]2CCC(C)C)N(C)C1=O |
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