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2-(1,3-dimethyl-2,6-dioxo-7H-purin-7-ium-7-yl)acetic acid;(S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanolate
2-(1,3-dimethyl-2,6-dioxo-7H-purin-7-ium-7-yl)acetic acid;(S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanolate
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![2-(1,3-dimethyl-2,6-dioxo-7H-purin-7-ium-7-yl)acetic acid;(S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanolate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/117ce96a38d7426caa1c1a260a06d1be.png "2-(1,3-dimethyl-2,6-dioxo-7H-purin-7-ium-7-yl)acetic acid;(S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanolate")
2-(1,3-dimethyl-2,6-dioxo-7H-purin-7-ium-7-yl)acetic acid;(S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanolate
structure -
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CAS No:
60662-75-1
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Formula:
C29H34N6O6
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Chemical Name:
2-(1,3-dimethyl-2,6-dioxo-7H-purin-7-ium-7-yl)acetic acid;(S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanolate
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Synonyms:
Chinteina
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CAS No:
2-(1,3-dimethyl-2,6-dioxo-7H-purin-7-ium-7-yl)acetic acid;(S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanolate Basic Attributes
562.6 g/mol
562.25398283 g/mol
Computed Properties
Molecular Weight:562.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:562.25398283
Monoisotopic Mass:562.25398283
Topological Polar Surface Area:143
Heavy Atom Count:41
Complexity:938
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
Guide of 2-(1,3-dimethyl-2,6-dioxo-7H-purin-7-ium-7-yl)acetic acid;(S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanolate
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