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125827-88-5 | Acetamide, N-[3-[[2-chloro-9-(phenylmethyl)-9H-purin-6-yl]amino]phenyl]-
CAS No: 125827-88-5 Catalog No: AG000OT6 MDL No:
Product Description
Catalog Number:
AG000OT6
Chemical Name:
Acetamide, N-[3-[[2-chloro-9-(phenylmethyl)-9H-purin-6-yl]amino]phenyl]-
CAS Number:
125827-88-5
Molecular Formula:
C20H17ClN6O
Molecular Weight:
392.8416
IUPAC Name:
N-[3-[(9-benzyl-2-chloropurin-6-yl)amino]phenyl]acetamide
InChI:
InChI=1S/C20H17ClN6O/c1-13(28)23-15-8-5-9-16(10-15)24-18-17-19(26-20(21)25-18)27(12-22-17)11-14-6-3-2-4-7-14/h2-10,12H,11H2,1H3,(H,23,28)(H,24,25,26)
InChI Key:
CGTISFSIFVAIOQ-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cccc(c1)Nc1nc(Cl)nc2c1ncn2Cc1ccccc1
Properties
Complexity:
531
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.115g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
392.847g/mol
Monoisotopic Mass:
392.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Antirhinovirus activity of 6-anilino-9-benzyl-2-chloro-9H-purines. | Journal of medicinal chemistry 19900501 |
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