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115204-60-9 | 9H-Purin-6-amine, 2-chloro-N,N-dimethyl-9-[(4-nitrophenyl)methyl]-
CAS No: 115204-60-9 Catalog No: AG000GFK MDL No:
Product Description
Catalog Number:
AG000GFK
Chemical Name:
9H-Purin-6-amine, 2-chloro-N,N-dimethyl-9-[(4-nitrophenyl)methyl]-
CAS Number:
115204-60-9
Molecular Formula:
C14H13ClN6O2
Molecular Weight:
332.7450
IUPAC Name:
2-chloro-N,N-dimethyl-9-[(4-nitrophenyl)methyl]purin-6-amine
InChI:
InChI=1S/C14H13ClN6O2/c1-19(2)12-11-13(18-14(15)17-12)20(8-16-11)7-9-3-5-10(6-4-9)21(22)23/h3-6,8H,7H2,1-2H3
InChI Key:
KMCXGHJRSCTQDC-UHFFFAOYSA-N
SMILES:
Clc1nc(N(C)C)c2c(n1)n(cn2)Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.079g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.748g/mol
Monoisotopic Mass:
332.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| 9-Benzyl-6-(dimethylamino)-9H-purines with antirhinovirus activity. | Journal of medicinal chemistry 19881001 |
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