1-[1,3-dimethyl-2,6-dioxo-7-(2-pyrimidin-2-ylsulfanylethyl)-5h-purin-8-ylidene]piperidin-1-ium-4-carboxamide (CHEM314827)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-29 17:21:56 UTC | ||||||||
| Update Date | 2026-08-29 17:21:56 UTC | ||||||||
| Accession Number | CHEM314827 | ||||||||
| Identification | |||||||||
| Common Name | 1-[1,3-dimethyl-2,6-dioxo-7-(2-pyrimidin-2-ylsulfanylethyl)-5h-purin-8-ylidene]piperidin-1-ium-4-carboxamide | ||||||||
| Class | Small Molecule | ||||||||
| Description | 1-[1,3-dimethyl-2,6-dioxo-7-(2-pyrimidin-2-ylsulfanylethyl)-5h-purin-8-ylidene]piperidin-1-ium-4-carboxamide is a chemical compound with the formula C19H25N8O3S+. It has an average molecular weight of 445.50 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C19H25N8O3S+ | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 445.177 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 1-[1,3-dimethyl-2,6-dioxo-7-(2-pyrimidin-2-ylsulfanylethyl)-5h-purin-8-ylidene]piperidin-1-ium-4-carboxamide | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CN1C2=NC(=[N+]3CCC(CC3)C(=O)N)N(C2C(=O)N(C1=O)C)CCSC4=NC=CC=N4 | ||||||||
| InChI Identifier | InChI=1S/C19H24N8O3S/c1-24-15-13(16(29)25(2)19(24)30)27(10-11-31-17-21-6-3-7-22-17)18(23-15)26-8-4-12(5-9-26)14(20)28/h3,6-7,12-13H,4-5,8-11H2,1-2H3,(H-,20,28)/p+1 | ||||||||
| InChI Key | WPNZFCZWXKCELQ-UHFFFAOYSA-O | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
