Basic information
- CAS
136160-24-2- Standard SMILES
CCc1c(Sc2ccccc2)n(COCc2ccccc2)c(=S)[nH]c1=O- InChIKey
ALOGFDZIJYDRJL-UHFFFAOYSA-N- Molecular formula
- C20H20N2O2S2
- Average molar mass
- 384.5 g/mol
- Monoisotopic mass
- 384.09662023
Names & identifiers
- Preferred name
- 5-Ethyl-1-((benzyloxy)methyl)-6-(phenylthio)-2-thiouracil
- IUPAC
- 5-ethyl-1-(phenylmethoxymethyl)-6-phenylsulfanyl-2-sulfanylidenepyrimidin-4-one
Names & synonyms
136160-24-2E-BPU-S1-BzOMe-6PhS-5Et2thio U5-Ethyl-1-((benzyloxy)methyl)-6-(phenylthio)-2-thiouracilCHEMBL1344031-((Benzyloxy)methyl)-5-ethyl-6-(phenylthio)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one5-Ethyl-1-[(benzyloxy)methyl]-6-(phenylthio)-2-thiouracilDTXSID80159707BDBM500041211-(benzyloxymethyl)-5-ethyl-6-phenylsulfanyl-2-thioxo-pyrimidin-4-one1-Benzyloxymethyl-5-ethyl-6-phenylsulfanyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one1-[(Benzyloxy)methyl]-5-ethyl-6-(phenylsulfanyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Database identifiers
- CAS
136160-24-2- PubChem CID
- 3000396
- DTXSID
DTXSID80159707- ChEMBL
CHEMBL134403- Nikkaji
- J522.698H
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 99 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 538
Experimental & physicochemical properties
LogP3.44
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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