3-[(1-cyclopropyl-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl)methylideneamino]benzoic acid
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![3-[(1-cyclopropyl-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl)methylideneamino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/c8e9256177ea4a168d2ed5ae13d5ea62.png "3-[(1-cyclopropyl-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl)methylideneamino]benzoic acid")
3-[(1-cyclopropyl-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl)methylideneamino]benzoic acid
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CAS No:
674818-34-9
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Formula:
C15H13N3O4S
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Chemical Name:
3-[(1-cyclopropyl-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl)methylideneamino]benzoic acid
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Synonyms:
ZINC6276506;STK563657;AKOS005489361;AKOS032388285;MCULE-2624328213;(E)-3-(((1-cyclopropyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoic acid;3-{[(E)-(1-cyclopropyl-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]amino}benzoic acid;674818-34-9
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CAS No:
3-[(1-cyclopropyl-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl)methylideneamino]benzoic acid Basic Attributes
331.3 g/mol
331.06267708 g/mol
Computed Properties
Molecular Weight:331.3
XLogP3:1.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:331.06267708
Monoisotopic Mass:331.06267708
Topological Polar Surface Area:134
Heavy Atom Count:23
Complexity:612
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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