5-Ethyl-1-ethoxymethyl-6-(3,5-dimethylphenylthio)-2-thiouracil
Basic information
- CAS
136011-45-5- Standard SMILES
CCOCn1c(Sc2cc(C)cc(C)c2)c(CC)c(=O)[nH]c1=S- InChIKey
OQZISUZIYBKHTQ-UHFFFAOYSA-N- Molecular formula
- C17H22N2O2S2
- Average molar mass
- 350.5 g/mol
- Monoisotopic mass
- 350.1122703
Names & identifiers
- Preferred name
- 5-Ethyl-1-ethoxymethyl-6-(3,5-dimethylphenylthio)-2-thiouracil
- IUPAC
- 6-(3,5-dimethylphenyl)sulfanyl-1-(ethoxymethyl)-5-ethyl-2-sulfanylidenepyrimidin-4-one
Names & synonyms
E-EPU-SdM1-EtOMe-6XylylS-5Et2thio U5-Ethyl-1-ethoxymethyl-6-(3,5-dimethylphenylthio)-2-thiouracil136011-45-5CHEMBL337338DTXSID30159631BDBM500041276-(3,5-dimethylphenyl)sulfanyl-1-(ethoxymethyl)-5-ethyl-2-thioxo-pyrimidin-4-one6-(3,5-Dimethyl-phenylsulfanyl)-1-ethoxymethyl-5-ethyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one6-[(3,5-Dimethylphenyl)sulfanyl]-1-(ethoxymethyl)-5-ethyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Database identifiers
- CAS
136011-45-5- PubChem CID
- 3000328
- DTXSID
DTXSID30159631- ChEMBL
CHEMBL337338- Nikkaji
- J415.960H
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 99 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 483
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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