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115204-67-6 | 9H-Purin-6-amine, 2-chloro-N,N-dimethyl-9-(2-naphthalenylmethyl)-
CAS No: 115204-67-6 Catalog No: AG000GFE MDL No:
Product Description
Catalog Number:
AG000GFE
Chemical Name:
9H-Purin-6-amine, 2-chloro-N,N-dimethyl-9-(2-naphthalenylmethyl)-
CAS Number:
115204-67-6
Molecular Formula:
C18H16ClN5
Molecular Weight:
337.8061
IUPAC Name:
2-chloro-N,N-dimethyl-9-(naphthalen-2-ylmethyl)purin-6-amine
InChI:
InChI=1S/C18H16ClN5/c1-23(2)16-15-17(22-18(19)21-16)24(11-20-15)10-12-7-8-13-5-3-4-6-14(13)9-12/h3-9,11H,10H2,1-2H3
InChI Key:
JGBMKGWTRWWYDD-UHFFFAOYSA-N
SMILES:
Clc1nc(N(C)C)c2c(n1)n(cn2)Cc1ccc2c(c1)cccc2
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.109g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.811g/mol
Monoisotopic Mass:
337.109g/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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