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125802-49-5 | 9H-Purin-6-amine, 2-chloro-N-(4-methylphenyl)-9-(phenylmethyl)-
CAS No: 125802-49-5 Catalog No: AG000ORS MDL No:
Product Description
Catalog Number:
AG000ORS
Chemical Name:
9H-Purin-6-amine, 2-chloro-N-(4-methylphenyl)-9-(phenylmethyl)-
CAS Number:
125802-49-5
Molecular Formula:
C19H16ClN5
Molecular Weight:
349.8168
IUPAC Name:
9-benzyl-2-chloro-N-(4-methylphenyl)purin-6-amine
InChI:
InChI=1S/C19H16ClN5/c1-13-7-9-15(10-8-13)22-17-16-18(24-19(20)23-17)25(12-21-16)11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,22,23,24)
InChI Key:
MAYUQYBIHUAAJJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Nc1nc(Cl)nc2c1ncn2Cc1ccccc1
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.109g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
349.822g/mol
Monoisotopic Mass:
349.109g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Literature
| Title | Journal |
|---|---|
| Antirhinovirus activity of 6-anilino-9-benzyl-2-chloro-9H-purines. | Journal of medicinal chemistry 19900501 |
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