4-[(6-methyl-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-yl)amino]benzoic acid
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![4-[(6-methyl-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-yl)amino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/6181a33e2fe94fb1a1c0f8e0ee59a42c.png "4-[(6-methyl-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-yl)amino]benzoic acid")
4-[(6-methyl-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-yl)amino]benzoic acid
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CAS No:
312626-14-5
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Formula:
C16H17N3O2S
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Chemical Name:
4-[(6-methyl-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-yl)amino]benzoic acid
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Synonyms:
4-(5-Allyl-6-methyl-2-methylsulfanyl-pyrimidin-4-ylamino)-benzoic acid;SMR000010356;CBMicro_034073;Oprea1_456467;Oprea1_495429;MLS000072220;MLS002536106;CHEMBL1408765;HMS1679P01;HMS2392K10;ZINC243708;CCG-16678;STK722135;AKOS000547341;MCULE-9253973873;BIM-0034080.P001;EU-0005056;ST50250818;AB00097693-01;BRD-K46197518-001-07-5;4-[(6-methyl-2-methylthio-5-prop-2-enylpyrimidin-4-yl)amino]benzoic acid;4-{[6-methyl-2-(methylsulfanyl)-5-(prop-2-en-1-yl)pyrimidin-4-yl]amino}benzoic acid;312626-14-5
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CAS No:
4-[(6-methyl-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-yl)amino]benzoic acid Basic Attributes
315.4 g/mol
315.10414797 g/mol
Computed Properties
Molecular Weight:315.4
XLogP3:3.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:315.10414797
Monoisotopic Mass:315.10414797
Topological Polar Surface Area:100
Heavy Atom Count:22
Complexity:386
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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