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115204-54-1 | 9H-Purin-6-amine, 2-chloro-9-[(4-chlorophenyl)methyl]-N,N-dimethyl-
CAS No: 115204-54-1 Catalog No: AG000GFO MDL No:
Product Description
Catalog Number:
AG000GFO
Chemical Name:
9H-Purin-6-amine, 2-chloro-9-[(4-chlorophenyl)methyl]-N,N-dimethyl-
CAS Number:
115204-54-1
Molecular Formula:
C14H13Cl2N5
Molecular Weight:
322.1925
IUPAC Name:
2-chloro-9-[(4-chlorophenyl)methyl]-N,N-dimethylpurin-6-amine
InChI:
InChI=1S/C14H13Cl2N5/c1-20(2)12-11-13(19-14(16)18-12)21(8-17-11)7-9-3-5-10(15)6-4-9/h3-6,8H,7H2,1-2H3
InChI Key:
VBYFAOXBMSIIDE-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Cn1cnc2c1nc(Cl)nc2N(C)C
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.055g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.193g/mol
Monoisotopic Mass:
321.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| 9-Benzyl-6-(dimethylamino)-9H-purines with antirhinovirus activity. | Journal of medicinal chemistry 19881001 |
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