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115204-65-4 | 9H-Purin-6-amine, 2-chloro-9-[(3,4-dichlorophenyl)methyl]-N,N-dimethyl-
CAS No: 115204-65-4 Catalog No: AG000GFF MDL No:
Product Description
Catalog Number:
AG000GFF
Chemical Name:
9H-Purin-6-amine, 2-chloro-9-[(3,4-dichlorophenyl)methyl]-N,N-dimethyl-
CAS Number:
115204-65-4
Molecular Formula:
C14H12Cl3N5
Molecular Weight:
356.6376
IUPAC Name:
2-chloro-9-[(3,4-dichlorophenyl)methyl]-N,N-dimethylpurin-6-amine
InChI:
InChI=1S/C14H12Cl3N5/c1-21(2)12-11-13(20-14(17)19-12)22(7-18-11)6-8-3-4-9(15)10(16)5-8/h3-5,7H,6H2,1-2H3
InChI Key:
UXZRHGZAUJYLRH-UHFFFAOYSA-N
SMILES:
Clc1nc(N(C)C)c2c(n1)n(cn2)Cc1ccc(c(c1)Cl)Cl
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.016g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.635g/mol
Monoisotopic Mass:
355.016g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Literature
| Title | Journal |
|---|---|
| 9-Benzyl-6-(dimethylamino)-9H-purines with antirhinovirus activity. | Journal of medicinal chemistry 19881001 |
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