3-[(5Z)-5-[[9-methyl-2-(2-methylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
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![3-[(5Z)-5-[[9-methyl-2-(2-methylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/6e39dfe5e3e64f7882ae269d52b6c815.png "3-[(5Z)-5-[[9-methyl-2-(2-methylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid")
3-[(5Z)-5-[[9-methyl-2-(2-methylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
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CAS No:
608497-20-7
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Formula:
C20H22N4O4S2
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Chemical Name:
3-[(5Z)-5-[[9-methyl-2-(2-methylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
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Synonyms:
3-[(5Z)-5-({9-methyl-2-[(2-methylpropyl)amino]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid;STK881723;ZINC13713663;AKOS005182869;(Z)-3-(5-((2-(isobutylamino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid;3-(5-{(Z)-1-[2-(isobutylamino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolan-3-yl)propanoic acid;608497-20-7
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CAS No:
3-[(5Z)-5-[[9-methyl-2-(2-methylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Basic Attributes
446.5 g/mol
446.10824754 g/mol
Computed Properties
Molecular Weight:446.5
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:446.10824754
Monoisotopic Mass:446.10824754
Topological Polar Surface Area:160
Heavy Atom Count:30
Complexity:975
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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