N-[4-(2,4-diamino-1-methylpyrimidin-1-ium-5-yl)phenyl]-4-[(1-methylquinolin-4-ylidene)amino]benzamide;4-methylbenzenesulfonate;4-methylbenzenesulfonic acid
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![N-[4-(2,4-diamino-1-methylpyrimidin-1-ium-5-yl)phenyl]-4-[(1-methylquinolin-4-ylidene)amino]benzamide;4-methylbenzenesulfonate;4-methylbenzenesulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d1df4e88220c48cf8fcadea7c3552b3d.png "N-[4-(2,4-diamino-1-methylpyrimidin-1-ium-5-yl)phenyl]-4-[(1-methylquinolin-4-ylidene)amino]benzamide;4-methylbenzenesulfonate;4-methylbenzenesulfonic acid")
N-[4-(2,4-diamino-1-methylpyrimidin-1-ium-5-yl)phenyl]-4-[(1-methylquinolin-4-ylidene)amino]benzamide;4-methylbenzenesulfonate;4-methylbenzenesulfonic acid
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CAS No:
50309-01-8
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Formula:
C42H41N7O7S2
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Chemical Name:
N-[4-(2,4-diamino-1-methylpyrimidin-1-ium-5-yl)phenyl]-4-[(1-methylquinolin-4-ylidene)amino]benzamide;4-methylbenzenesulfonate;4-methylbenzenesulfonic acid
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Synonyms:
50309-01-8;Quinolinium, 4-((4-(((4-(2,4-diamino-1-methylpyrimidinium-5-yl)phenyl)amino)carbonyl)phenyl)amino)-1-methyl-, salt with 4-methylbenzenesulfonic acid (1:2)
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CAS No:
N-[4-(2,4-diamino-1-methylpyrimidin-1-ium-5-yl)phenyl]-4-[(1-methylquinolin-4-ylidene)amino]benzamide;4-methylbenzenesulfonate;4-methylbenzenesulfonic acid Basic Attributes
820.0 g/mol
819.25088902 g/mol
Computed Properties
Molecular Weight:820.0
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:5
Exact Mass:819.25088902
Monoisotopic Mass:819.25088902
Topological Polar Surface Area:242
Heavy Atom Count:58
Complexity:1210
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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