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115204-51-8

115204-51-8 | Acetamide, N-[4-[[6-(dimethylamino)-9H-purin-9-yl]methyl]phenyl]-

CAS No: 115204-51-8 Catalog No: AG000GFR MDL No:

Product Description

Catalog Number:
AG000GFR
Chemical Name:
Acetamide, N-[4-[[6-(dimethylamino)-9H-purin-9-yl]methyl]phenyl]-
CAS Number:
115204-51-8
Molecular Formula:
C16H18N6O
Molecular Weight:
310.3537
IUPAC Name:
N-[4-[[6-(dimethylamino)purin-9-yl]methyl]phenyl]acetamide
InChI:
InChI=1S/C16H18N6O/c1-11(23)20-13-6-4-12(5-7-13)8-22-10-19-14-15(21(2)3)17-9-18-16(14)22/h4-7,9-10H,8H2,1-3H3,(H,20,23)
InChI Key:
NTUOCWVEFXMRAK-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(cc1)Cn1cnc2c1ncnc2N(C)C

Properties

Complexity:
409  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.154g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
310.361g/mol
Monoisotopic Mass:
310.154g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
75.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

Literature

Title Journal
9-Benzyl-6-(dimethylamino)-9H-purines with antirhinovirus activity. Journal of medicinal chemistry 19881001

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