Ethyl a-cyano-2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo-1H-purine-8-acetate (CHEM094957)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-05 06:37:52 UTC | ||||||||
| Update Date | 2026-04-05 06:37:52 UTC | ||||||||
| Accession Number | CHEM094957 | ||||||||
| Identification | |||||||||
| Common Name | Ethyl a-cyano-2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo-1H-purine-8-acetate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C13H15N5O4 | ||||||||
| Average Molecular Mass | 305.294 g/mol | ||||||||
| Monoisotopic Mass | 305.112 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCOC(=O)C(C#N)C1=NC2=C(N1C)C(=O)N(C)C(=O)N2C | ||||||||
| InChI Identifier | InChI=1/C13H15N5O4/c1-5-22-12(20)7(6-14)9-15-10-8(16(9)2)11(19)18(4)13(21)17(10)3/h7H,5H2,1-4H3 | ||||||||
| InChI Key | BMIKTCIKJATOHU-UHFFFAOYSA-N | ||||||||
| 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 |
| ||||||||
| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
| ||||||||
| 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 | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
