2-[2-[(4-ethoxycarbonylphenyl)methylamino]-2-oxoethyl]sulfanyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
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![2-[2-[(4-ethoxycarbonylphenyl)methylamino]-2-oxoethyl]sulfanyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/3e5dc6475c114a23936601fca78ffb9c.png "2-[2-[(4-ethoxycarbonylphenyl)methylamino]-2-oxoethyl]sulfanyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid")
2-[2-[(4-ethoxycarbonylphenyl)methylamino]-2-oxoethyl]sulfanyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
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CAS No:
708281-26-9
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Formula:
C20H19N3O6S2
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Chemical Name:
2-[2-[(4-ethoxycarbonylphenyl)methylamino]-2-oxoethyl]sulfanyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
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Synonyms:
2-((2-((4-(ethoxycarbonyl)benzyl)amino)-2-oxoethyl)thio)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid;708281-26-9;2-[(N-{[4-(ethoxycarbonyl)phenyl]methyl}carbamoyl)methylthio]-5-methyl-4-oxo-3 -hydrothiopheno[2,3-d]pyrimidine-6-carboxylic acid;ZINC2699817;SBB083718;STL079616;AKOS002230270;MCULE-5764903904;2-[2-[(4-ethoxycarbonylphenyl)methylamino]-2-oxoethyl]sulfanyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid;ST50108681;F1634-0013;2-[(2-{[4-(ethoxycarbonyl)benzyl]amino}-2-oxoethyl)sulfanyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid
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CAS No:
2-[2-[(4-ethoxycarbonylphenyl)methylamino]-2-oxoethyl]sulfanyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Basic Attributes
461.5 g/mol
461.07152768 g/mol
Computed Properties
Molecular Weight:461.5
XLogP3:2.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:9
Exact Mass:461.07152768
Monoisotopic Mass:461.07152768
Topological Polar Surface Area:188
Heavy Atom Count:31
Complexity:753
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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