2-amino-4-{4-methoxy-3-[(2-pyridinylsulfanyl)methyl]phenyl}-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
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![2-amino-4-{4-methoxy-3-[(2-pyridinylsulfanyl)methyl]phenyl}-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/30d755dd7bd1452c967c39e3debee923.png "2-amino-4-{4-methoxy-3-[(2-pyridinylsulfanyl)methyl]phenyl}-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile")
2-amino-4-{4-methoxy-3-[(2-pyridinylsulfanyl)methyl]phenyl}-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
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CAS No:
328072-43-1
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Formula:
C23H19N3O4S
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Chemical Name:
2-amino-4-{4-methoxy-3-[(2-pyridinylsulfanyl)methyl]phenyl}-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
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Synonyms:
2-amino-4-{4-methoxy-3-[(2-pyridinylsulfanyl)methyl]phenyl}-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile;STL164332;AKOS005363840;MCULE-9735949161;AK-968/12117050;2-amino-4-{4-methoxy-3-[(pyridin-2-ylsulfanyl)methyl]phenyl}-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
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CAS No:
2-amino-4-{4-methoxy-3-[(2-pyridinylsulfanyl)methyl]phenyl}-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile Basic Attributes
433.47966
433.11
Computed Properties
Molecular Weight:433.5
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:433.10962727
Monoisotopic Mass:433.10962727
Topological Polar Surface Area:133
Heavy Atom Count:31
Complexity:871
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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