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115204-59-6 | 9H-Purin-6-amine, 2-chloro-9-[(4-methoxyphenyl)methyl]-N,N-dimethyl-
CAS No: 115204-59-6 Catalog No: AG000GFL MDL No:
Product Description
Catalog Number:
AG000GFL
Chemical Name:
9H-Purin-6-amine, 2-chloro-9-[(4-methoxyphenyl)methyl]-N,N-dimethyl-
CAS Number:
115204-59-6
Molecular Formula:
C15H16ClN5O
Molecular Weight:
317.7734
IUPAC Name:
2-chloro-9-[(4-methoxyphenyl)methyl]-N,N-dimethylpurin-6-amine
InChI:
InChI=1S/C15H16ClN5O/c1-20(2)13-12-14(19-15(16)18-13)21(9-17-12)8-10-4-6-11(22-3)7-5-10/h4-7,9H,8H2,1-3H3
InChI Key:
DMMZWJUONKBPLI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Cn1cnc2c1nc(Cl)nc2N(C)C
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.104g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.777g/mol
Monoisotopic Mass:
317.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| 9-Benzyl-6-(dimethylamino)-9H-purines with antirhinovirus activity. | Journal of medicinal chemistry 19881001 |
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