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ethyl 4-({[(4-amino-6-hydroxypyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate

HCID 178776455
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Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
333410-74-5
Standard SMILES
CCOC(=O)c1ccc(NC(=O)CSc2nc(N)cc(=O)[nH]2)cc1
InChIKey
VBXXUIACEQHQFQ-UHFFFAOYSA-N
Molecular formula
C15H16N4O4S
Average molar mass
348.38 g/mol

Names & identifiers

Preferred name
ethyl 4-({[(4-amino-6-hydroxypyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate
English name
ethyl 4-({[(4-amino-6-hydroxypyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate
Molecular formula
C15H16N4O4S
Molecular weight
348.38

Names & synonyms

ethyl 4-({[(4-amino-6-hydroxypyrimidin-2-yl)sulfanyl]acetyl}amino)benzoateBenzoic acid, 4-[[2-[(4-amino-1,6-dihydro-6-oxo-2-pyrimidinyl)thio]acetyl]amino]-, ethyl ester

Database identifiers

CAS
333410-74-5

Properties

Physicochemical properties

Density
1.45 · 1.45±0.1 g/cm3(Predicted)
pka
8.37 · 8.37±0.50(Predicted)

Chemistry & industry

Suppliers3 total

PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
SPECS[email protected]

Related reactions

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Compound notes

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