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Home Other Building Blocks 3-benzyl-7-(2-methoxyethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

3-benzyl-7-(2-methoxyethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

CAS No.:
554423-81-3
Catalog Number:
AG019HZS
Molecular Formula:
C15H16N4O3
Molecular Weight:
300.3125
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Product Description
Catalog Number:
AG019HZS
Chemical Name:
3-benzyl-7-(2-methoxyethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS Number:
554423-81-3
Molecular Formula:
C15H16N4O3
Molecular Weight:
300.3125
MDL Number:
MFCD03982627
IUPAC Name:
3-benzyl-7-(2-methoxyethyl)purine-2,6-dione
InChI:
InChI=1S/C15H16N4O3/c1-22-8-7-18-10-16-13-12(18)14(20)17-15(21)19(13)9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,17,20,21)
InChI Key:
WTJNCOHQJXIYHQ-UHFFFAOYSA-N
SMILES:
COCCn1cnc2c1c(=O)[nH]c(=O)n2Cc1ccccc1
Properties
Complexity:
425  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.122g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
300.318g/mol
Monoisotopic Mass:
300.122g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties