4-{[(1,3-diMethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)Methyl]aMino}benzoic acid
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![4-{[(1,3-diMethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)Methyl]aMino}benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/14b9213ccce14670b85c6df932a6a484.png "4-{[(1,3-diMethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)Methyl]aMino}benzoic acid")
4-{[(1,3-diMethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)Methyl]aMino}benzoic acid
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CAS No:
7000-61-5
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Formula:
C15H15N5O4
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Chemical Name:
4-{[(1,3-diMethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)Methyl]aMino}benzoic acid
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Synonyms:
4-{[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)methyl]amino}benzoic acid;MLS000737094;4-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methylamino]benzoic acid;NSC-81750;4-{[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)methyl]aminobenzoic acid;4-(((1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)amino)benzoic acid;NSC81750;ACMC-20ceuz;CHEMBL1448304;SCHEMBL15741953
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CAS No:
4-{[(1,3-diMethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)Methyl]aMino}benzoic acid Basic Attributes
329.3107
329.11200
81750
DTXSID00292327
Computed Properties
Molecular Weight:329.31
XLogP3:0.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:329.11240398
Monoisotopic Mass:329.11240398
Topological Polar Surface Area:119
Heavy Atom Count:24
Complexity:534
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-{[(1,3-diMethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)Methyl]aMino}benzoic acid
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