Ethyl 3-acetyl-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate (CHEM297520)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-28 18:41:38 UTC | ||||||||
| Update Date | 2026-08-28 18:41:38 UTC | ||||||||
| Accession Number | CHEM297520 | ||||||||
| Identification | |||||||||
| Common Name | Ethyl 3-acetyl-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C16H17N3O5S | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 363.089 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | Ethyl 3-acetyl-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCOC(=O)C1=C(NC(=S)N(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C)C | ||||||||
| InChI Identifier | InChI=1S/C16H17N3O5S/c1-4-24-15(21)13-9(2)17-16(25)18(10(3)20)14(13)11-6-5-7-12(8-11)19(22)23/h5-8,14H,4H2,1-3H3,(H,17,25) | ||||||||
| InChI Key | AGSMRMOFSMBDMQ-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 |
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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 | ||||||||
