2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-3-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one (CHEM317579)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-29 21:18:06 UTC | ||||||||
| Update Date | 2026-08-29 21:18:06 UTC | ||||||||
| Accession Number | CHEM317579 | ||||||||
| Identification | |||||||||
| Common Name | 2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-3-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one | ||||||||
| Class | Small Molecule | ||||||||
| Description | 2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-3-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is a chemical compound with the formula C20H20N2O4S2. It has an average molecular weight of 416.50 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C20H20N2O4S2 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 416.086 g/mol | ||||||||
| CAS Registry Number | 573694-85-6 | ||||||||
| IUPAC Name | 2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-3-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCN1C(=O)C2=C(N=C1SCC(=O)C3=CC(=C(C=C3)O)O)SC4=C2CCCC4 | ||||||||
| InChI Identifier | InChI=1S/C20H20N2O4S2/c1-2-22-19(26)17-12-5-3-4-6-16(12)28-18(17)21-20(22)27-10-15(25)11-7-8-13(23)14(24)9-11/h7-9,23-24H,2-6,10H2,1H3 | ||||||||
| InChI Key | ARYVDNDRBGAITD-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 | ||||||||
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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 | ||||||||
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| Identifiers | Not Available | ||||||||
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| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
