4-[[3-(furan-2-ylmethyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoic acid
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![4-[[3-(furan-2-ylmethyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1bd7370b84f5435cad2255dbce3f271b.png "4-[[3-(furan-2-ylmethyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoic acid")
4-[[3-(furan-2-ylmethyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoic acid
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CAS No:
573942-82-2
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Formula:
C21H18N2O4S2
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Chemical Name:
4-[[3-(furan-2-ylmethyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoic acid
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Synonyms:
MLS000778774;SMR000415547;CHEMBL1380897;BDBM61842;cid_1853121;HMS2758J16;ZINC2220734;STL340562;AKOS022125923;MCULE-6442514070;4-[[3-(furan-2-ylmethyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoic acid;4-({[3-(furan-2-ylmethyl)-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)benzoic acid;4-(3-Furan-2-ylmethyl-5,6-dimethyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidin-2-ylsulfanylmethyl)-benzoic acid;4-(3-Furan-2-ylmethyl-5,6-dimethyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidin-2-ylsulfanylmethyl)-benzoic acid;4-[[[3-(2-furanylmethyl)-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]methyl]benzoic acid;4-[[[3-(2-furfuryl)-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl]thio]methyl]benzoic acid;4-[[3-(furan-2-ylmethyl)-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoic acid;573942-82-2
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CAS No:
4-[[3-(furan-2-ylmethyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoic acid Basic Attributes
426.5 g/mol
426.07079941 g/mol
Computed Properties
Molecular Weight:426.5
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:426.07079941
Monoisotopic Mass:426.07079941
Topological Polar Surface Area:137
Heavy Atom Count:29
Complexity:665
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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