1-((2-Hydroxyethoxy)methyl)-6-(phenylthio)-5-propyluracil

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Basic information

CAS: 133563-28-7
Standard SMILES: CCCc1c(Sc2ccccc2)n(COCCO)c(=O)[nH]c1=O
InChIKey: LQJRWKOFHILMRZ-UHFFFAOYSA-N
Molecular formula: C16H20N2O4S
Average molar mass: 336.4 g/mol
Monoisotopic mass: 336.1143783

Names & identifiers

Preferred name: 1-((2-Hydroxyethoxy)methyl)-6-(phenylthio)-5-propyluracil
IUPAC: 1-(2-hydroxyethoxymethyl)-6-phenylsulfanyl-5-propylpyrimidine-2,4-dione

Names & synonyms

P-HEPU133563-28-71-((2-Hydroxyethoxy)methyl)-6-(phenylthio)-5-propyluracil1-[(2-Hydroxyethoxy)methyl]-6-(phenylthio)-5-propyluracilCHEMBL16968DTXSID701581831-(2-hydroxyethoxymethyl)-6-phenylsulfanyl-5-propyl-pyrimidine-2,4-dione1-[(2-Hydroxyethoxy)methyl]-6-(phenylsulfanyl)-5-propylpyrimidine-2,4(1H,3H)-dione

Database identifiers

CAS: 133563-28-7
PubChem CID: 452932
DTXSID: DTXSID70158183
ChEMBL: CHEMBL16968
Nikkaji: J457.581D

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 104 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 23
Formal charge: 0
Complexity: 461

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Compound notes

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