5-Ethyl-1-benzyloxymethyl-6-(phenylthio)uracil

HCID 72308

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Basic information

CAS: 132774-46-0
Standard SMILES: CCc1c(Sc2ccccc2)n(COCc2ccccc2)c(=O)[nH]c1=O
InChIKey: JWLMKMJLXHQYJN-UHFFFAOYSA-N
Molecular formula: C20H20N2O3S
Average molar mass: 368.5 g/mol
Monoisotopic mass: 368.11946368

Names & identifiers

Preferred name: 5-Ethyl-1-benzyloxymethyl-6-(phenylthio)uracil
IUPAC: 5-ethyl-1-(phenylmethoxymethyl)-6-phenylsulfanylpyrimidine-2,4-dione
English name: 5-ethyl-1-benzyloxymethyl-6-(phenylthio)uracil
Molecular formula: C20H20N2O3S
Molecular weight: 368.45

Names & synonyms

132774-46-0E-Bpu cpd5-Ethyl-1-benzyloxymethyl-6-(phenylthio)uracilDTXSID10157771RefChem:102537DTXCID8080262CHEMBL2886881-[(benzyloxy)methyl]-5-ethyl-6-(phenylsulfanyl)pyrimidine-2,4(1h,3h)-dioneSCHEMBL9597854BDBM50004124DB-1610401-(Benzyloxymethyl)-6-phenylthio-5-ethyluracil

Show more names

2,4(1H,3H)-Pyrimidinedione, 5-ethyl-1-[(phenylmethoxy)methyl]-6-(phenylthio)-

1-(benzyloxymethyl)-5-ethyl-6-(phenylthio)uracil1-(benzyloxymethyl)-5-ethyl-6-phenylsulfanyl-pyrimidine-2,4-dione1-Benzyloxymethyl-5-ethyl-6-phenylsulfanyl-1H-pyrimidine-2,4-dione1-((Benzyloxy)methyl)-5-ethyl-6-(phenylthio)pyrimidine-2,4(1h,3h)-dione2,4(1H,3H)-Pyrimidinedione, 5-ethyl-1-((phenylmethoxy)methyl)-6-(phenylthio)-

Database identifiers

CAS: 132774-46-0
PubChem CID: 72308
DTXSID: DTXSID10157771
ChEMBL: CHEMBL288688

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 83.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 26
Formal charge: 0
Complexity: 537

Experimental & physicochemical properties

LogP3.23

Chemistry & industry

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