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115204-58-5 | 9H-Purin-6-amine, 2-chloro-9-[[4-(1,1-dimethylethyl)phenyl]methyl]-N,N-dimethyl-
CAS No: 115204-58-5 Catalog No: AG000GFM MDL No:
Product Description
Catalog Number:
AG000GFM
Chemical Name:
9H-Purin-6-amine, 2-chloro-9-[[4-(1,1-dimethylethyl)phenyl]methyl]-N,N-dimethyl-
CAS Number:
115204-58-5
Molecular Formula:
C18H22ClN5
Molecular Weight:
343.8538
IUPAC Name:
9-[(4-tert-butylphenyl)methyl]-2-chloro-N,N-dimethylpurin-6-amine
InChI:
InChI=1S/C18H22ClN5/c1-18(2,3)13-8-6-12(7-9-13)10-24-11-20-14-15(23(4)5)21-17(19)22-16(14)24/h6-9,11H,10H2,1-5H3
InChI Key:
FWSPNOQTFVRQRO-UHFFFAOYSA-N
SMILES:
Clc1nc(N(C)C)c2c(n1)n(cn2)Cc1ccc(cc1)C(C)(C)C
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.156g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.859g/mol
Monoisotopic Mass:
343.156g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Literature
| Title | Journal |
|---|---|
| 9-Benzyl-6-(dimethylamino)-9H-purines with antirhinovirus activity. | Journal of medicinal chemistry 19881001 |
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