(6E)-6-[(6-hydroxy-4-oxochromen-3-yl)methylidene]-5-imino-3-methylsulfanyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
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![(6E)-6-[(6-hydroxy-4-oxochromen-3-yl)methylidene]-5-imino-3-methylsulfanyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/f8c146bcd8d1464eb1fa830308997ba2.png "(6E)-6-[(6-hydroxy-4-oxochromen-3-yl)methylidene]-5-imino-3-methylsulfanyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one")
(6E)-6-[(6-hydroxy-4-oxochromen-3-yl)methylidene]-5-imino-3-methylsulfanyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
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CAS No:
1164555-47-8
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Formula:
C16H10N4O4S2
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Chemical Name:
(6E)-6-[(6-hydroxy-4-oxochromen-3-yl)methylidene]-5-imino-3-methylsulfanyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
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Synonyms:
SMR000221507;MLS000332055;6-[1-(6-Hydroxy-4-oxo-4H-chromen-3-yl)-meth-(E)-ylidene]-5-imino-3-methylsulfanyl-5,6-dihydro-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one;CHEMBL1494656;BDBM50993;cid_1945566;HMS2595G09;ZINC5420286;STK587195;AKOS005510098;AKOS032395365;(6E)-6-[(6-hydroxy-4-oxochromen-3-yl)methylidene]-5-imino-3-methylsulfanyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one;(6E)-5-azanylidene-3-methylsulfanyl-6-[(6-oxidanyl-4-oxidanylidene-chromen-3-yl)methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one;(6E)-6-[(6-hydroxy-4-keto-chromen-3-yl)methylene]-5-imino-3-(methylthio)-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one;(6E)-6-[(6-hydroxy-4-oxo-1-benzopyran-3-yl)methylidene]-5-imino-3-(methylthio)-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one;(E)-6-((6-hydroxy-4-oxo-4H-chromen-3-yl)methylene)-5-imino-3-(methylthio)-5H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7(6H)-one;1164555-47-8;3-{(E)-[5-iminio-3-(methylsulfanyl)-7-oxo-5H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6(7H)-ylidene]methyl}-4-oxo-4H-chromen-6-olate
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CAS No:
(6E)-6-[(6-hydroxy-4-oxochromen-3-yl)methylidene]-5-imino-3-methylsulfanyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one Basic Attributes
386.4 g/mol
386.01434716 g/mol
Computed Properties
Molecular Weight:386.4
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:2
Exact Mass:386.01434716
Monoisotopic Mass:386.01434716
Topological Polar Surface Area:166
Heavy Atom Count:26
Complexity:832
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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