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115204-53-0 | 9H-Purin-6-amine, 2-chloro-N,N-dimethyl-9-(phenylmethyl)-
CAS No: 115204-53-0 Catalog No: AG000GFP MDL No:
Product Description
Catalog Number:
AG000GFP
Chemical Name:
9H-Purin-6-amine, 2-chloro-N,N-dimethyl-9-(phenylmethyl)-
CAS Number:
115204-53-0
Molecular Formula:
C14H14ClN5
Molecular Weight:
287.7475
IUPAC Name:
9-benzyl-2-chloro-N,N-dimethylpurin-6-amine
InChI:
InChI=1S/C14H14ClN5/c1-19(2)12-11-13(18-14(15)17-12)20(9-16-11)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChI Key:
XTPFRQATVYIILF-UHFFFAOYSA-N
SMILES:
Clc1nc(N(C)C)c2c(n1)n(cn2)Cc1ccccc1
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.094g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.751g/mol
Monoisotopic Mass:
287.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| 9-Benzyl-6-(dimethylamino)-9H-purines with antirhinovirus activity. | Journal of medicinal chemistry 19881001 |
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