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125802-51-9 | 1,4-Benzenediamine, N4-[2-chloro-9-(phenylmethyl)-9H-purin-6-yl]-N1,N1-dimethyl-
CAS No: 125802-51-9 Catalog No: AG000ORQ MDL No:
Product Description
Catalog Number:
AG000ORQ
Chemical Name:
1,4-Benzenediamine, N4-[2-chloro-9-(phenylmethyl)-9H-purin-6-yl]-N1,N1-dimethyl-
CAS Number:
125802-51-9
Molecular Formula:
C20H19ClN6
Molecular Weight:
378.8581
IUPAC Name:
1-N-(9-benzyl-2-chloropurin-6-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
InChI:
InChI=1S/C20H19ClN6/c1-26(2)16-10-8-15(9-11-16)23-18-17-19(25-20(21)24-18)27(13-22-17)12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,23,24,25)
InChI Key:
QWLDLPHCDZVZGO-UHFFFAOYSA-N
SMILES:
Clc1nc(Nc2ccc(cc2)N(C)C)c2c(n1)n(cn2)Cc1ccccc1
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.136g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
378.864g/mol
Monoisotopic Mass:
378.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Literature
| Title | Journal |
|---|---|
| Antirhinovirus activity of 6-anilino-9-benzyl-2-chloro-9H-purines. | Journal of medicinal chemistry 19900501 |
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