5-Ethyl-1-((4-chlorobenzyloxy)methyl)-6-(phenylthio)-2-thiouracil
Basic information
- CAS
136160-43-5- Standard SMILES
CCc1c(Sc2ccccc2)n(COCc2ccc(Cl)cc2)c(=S)[nH]c1=O- InChIKey
UNARUCJNYVBDRJ-UHFFFAOYSA-N- Molecular formula
- C20H19ClN2O2S2
- Average molar mass
- 419 g/mol
- Monoisotopic mass
- 418.0576479
Names & identifiers
- Preferred name
- 5-Ethyl-1-((4-chlorobenzyloxy)methyl)-6-(phenylthio)-2-thiouracil
- IUPAC
- 1-[(4-chlorophenyl)methoxymethyl]-5-ethyl-6-phenylsulfanyl-2-sulfanylidenepyrimidin-4-one
Names & synonyms
1-ClBzOMe-6PhS-5Et2thio U136160-43-55-Ethyl-1-((4-chlorobenzyloxy)methyl)-6-(phenylthio)-2-thiouracilCHEMBL3363885-Ethyl-1-[(4-chlorobenzyloxy)methyl]-6-(phenylthio)-2-thiouracilDTXSID80159722BDBM500041471-[(4-chlorophenyl)methoxymethyl]-5-ethyl-6-phenylsulfanyl-2-thioxo-pyrimidin-4-one1-(4-Chloro-benzyloxymethyl)-5-ethyl-6-phenylsulfanyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one1-{[(4-Chlorophenyl)methoxy]methyl}-5-ethyl-6-(phenylsulfanyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Database identifiers
- CAS
136160-43-5- PubChem CID
- 3000398
- DTXSID
DTXSID80159722- ChEMBL
CHEMBL336388- Nikkaji
- J522.700C
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 99 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 570
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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