1-Benzyloxymethyl-5-ethyl-6-(3,5-dimethylphenylthio)-2-thiouracil
Basic information
- CAS
136105-78-7- Standard SMILES
CCc1c(Sc2cc(C)cc(C)c2)n(COCc2ccccc2)c(=S)[nH]c1=O- InChIKey
INFFEDXSIJMLBP-UHFFFAOYSA-N- Molecular formula
- C22H24N2O2S2
- Average molar mass
- 412.6 g/mol
- Monoisotopic mass
- 412.12792036
Names & identifiers
- Preferred name
- 1-Benzyloxymethyl-5-ethyl-6-(3,5-dimethylphenylthio)-2-thiouracil
- IUPAC
- 6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-1-(phenylmethoxymethyl)-2-sulfanylidenepyrimidin-4-one
Names & synonyms
E-BPU-SdM1-BzOMe-6XylylS-6Et2thio U1-Benzyloxymethyl-5-ethyl-6-(3,5-dimethylphenylthio)-2-thiouracil136105-78-7CHEMBL135497DTXSID10159659BDBM500041411-(benzyloxymethyl)-6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-2-thioxo-pyrimidin-4-one1-[(Benzyloxy)methyl]-6-[(3,5-dimethylphenyl)sulfanyl]-5-ethyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one1-Benzyloxymethyl-6-(3,5-dimethyl-phenylsulfanyl)-5-ethyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one
Database identifiers
- CAS
136105-78-7- PubChem CID
- 3000329
- DTXSID
DTXSID10159659- ChEMBL
CHEMBL135497- Nikkaji
- J415.961F
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 99 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 591
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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