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115204-70-1 | 9H-Purin-6-amine, 2-chloro-N,N-dimethyl-9-[[3-(phenylmethoxy)phenyl]methyl]-
CAS No: 115204-70-1 Catalog No: AG000GFB MDL No:
Product Description
Catalog Number:
AG000GFB
Chemical Name:
9H-Purin-6-amine, 2-chloro-N,N-dimethyl-9-[[3-(phenylmethoxy)phenyl]methyl]-
CAS Number:
115204-70-1
Molecular Formula:
C21H20ClN5O
Molecular Weight:
393.8694
IUPAC Name:
2-chloro-N,N-dimethyl-9-[(3-phenylmethoxyphenyl)methyl]purin-6-amine
InChI:
InChI=1S/C21H20ClN5O/c1-26(2)19-18-20(25-21(22)24-19)27(14-23-18)12-16-9-6-10-17(11-16)28-13-15-7-4-3-5-8-15/h3-11,14H,12-13H2,1-2H3
InChI Key:
AVEAACUNZYBTGH-UHFFFAOYSA-N
SMILES:
Clc1nc(N(C)C)c2c(n1)n(cn2)Cc1cccc(c1)OCc1ccccc1
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.136g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
393.875g/mol
Monoisotopic Mass:
393.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Literature
| Title | Journal |
|---|---|
| 9-Benzyl-6-(dimethylamino)-9H-purines with antirhinovirus activity. | Journal of medicinal chemistry 19881001 |
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