2-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetic acid
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2-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetic acid
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CAS No:
105522-63-2
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Formula:
C15H14N4O4S
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Chemical Name:
2-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetic acid
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Synonyms:
[(7-Benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetic acid;Oprea1_427286;MLS001211951;CHEMBL1420586;ZINC41885;HMS2828O16;BBL028435;STK525922;AKOS000576743;MCULE-8355649942;2-((7-benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetic acid;105522-63-2;SMR000513290;ST50221229;SR-01000506608;SR-01000506608-1;2-[3-methyl-2,6-dioxo-7-benzyl-1,3,7-trihydropurin-8-ylthio]acetic acid;(7-Benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylsulfanyl)-acetic acid;[(7-Benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetic acid #;Acetic acid, 2-(1,2,3,6-tetrahydro-7-benzyl-3-methyl-2,6-dioxopurin-8-yl)thio-
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CAS No:
2-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetic acid Basic Attributes
346.4 g/mol
346.07357611 g/mol
Computed Properties
Molecular Weight:346.4
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:346.07357611
Monoisotopic Mass:346.07357611
Topological Polar Surface Area:130
Heavy Atom Count:24
Complexity:526
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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