2-[1,3-dimethyl-2,6-dioxo-8-(pyridin-3-ylmethyl)purin-7-yl]acetic acid
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![2-[1,3-dimethyl-2,6-dioxo-8-(pyridin-3-ylmethyl)purin-7-yl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/6491bafa3f474836a0dc657ba43cf5ab.png "2-[1,3-dimethyl-2,6-dioxo-8-(pyridin-3-ylmethyl)purin-7-yl]acetic acid")
2-[1,3-dimethyl-2,6-dioxo-8-(pyridin-3-ylmethyl)purin-7-yl]acetic acid
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CAS No:
28345-98-4
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Formula:
C15H15N5O4
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Chemical Name:
2-[1,3-dimethyl-2,6-dioxo-8-(pyridin-3-ylmethyl)purin-7-yl]acetic acid
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Synonyms:
7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-8-(3-pyridylmethyl)-;28345-98-4;NV 14;BRN 1174973;Theophylline, 7-carboxymethyl-9-(3-pyridylmethyl)-;(Carboxy-methyl)-7 (pyridyl-3' methyl)-8 theophylline [French];1,3-Dimethyl-2,6-dioxo-8-(3-pyridylmethyl)-1,2,3,6-tetrahydropurine-7-acetic acid;(Carboxy-methyl)-7 (pyridyl-3' methyl)-8 theophylline;DTXSID70182589
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CAS No:
2-[1,3-dimethyl-2,6-dioxo-8-(pyridin-3-ylmethyl)purin-7-yl]acetic acid Basic Attributes
329.31 g/mol
329.11240398 g/mol
DTXSID70182589
Computed Properties
Molecular Weight:329.31
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:329.11240398
Monoisotopic Mass:329.11240398
Topological Polar Surface Area:109
Heavy Atom Count:24
Complexity:542
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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