5-methyl-4-oxo-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
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![5-methyl-4-oxo-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/21a817a02882422cbea064c874d11ef8.png "5-methyl-4-oxo-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid")
5-methyl-4-oxo-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
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CAS No:
708292-02-8
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Formula:
C17H12F3N3O4S2
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Chemical Name:
5-methyl-4-oxo-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
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Synonyms:
5-methyl-4-oxo-2-((2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)thio)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid;708292-02-8;5-methyl-4-oxo-2-({N-[2-(trifluoromethyl)phenyl]carbamoyl}methylthio)-3-hydrot hiopheno[2,3-d]pyrimidine-6-carboxylic acid;CBKinase1_007542;CBKinase1_019942;ZINC2699818;SBB083729;STL079626;AKOS002230283;MCULE-5411453073;5-methyl-4-oxo-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid;ST50108682;AB00357070-02;BRD-K32608282-001-01-4;F1634-0014;5-methyl-4-oxo-2-[(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid
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CAS No:
5-methyl-4-oxo-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Basic Attributes
443.4 g/mol
443.02213271 g/mol
Computed Properties
Molecular Weight:443.4
XLogP3:3.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:5
Exact Mass:443.02213271
Monoisotopic Mass:443.02213271
Topological Polar Surface Area:161
Heavy Atom Count:29
Complexity:719
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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