200,000+ products from a single source!
sales@angenechem.com
125802-57-5 | 9H-Purin-6-amine, N-(3-butoxyphenyl)-2-chloro-9-(phenylmethyl)-
CAS No: 125802-57-5 Catalog No: AG000ORK MDL No:
Product Description
Catalog Number:
AG000ORK
Chemical Name:
9H-Purin-6-amine, N-(3-butoxyphenyl)-2-chloro-9-(phenylmethyl)-
CAS Number:
125802-57-5
Molecular Formula:
C22H22ClN5O
Molecular Weight:
407.8960
IUPAC Name:
9-benzyl-N-(3-butoxyphenyl)-2-chloropurin-6-amine
InChI:
InChI=1S/C22H22ClN5O/c1-2-3-12-29-18-11-7-10-17(13-18)25-20-19-21(27-22(23)26-20)28(15-24-19)14-16-8-5-4-6-9-16/h4-11,13,15H,2-3,12,14H2,1H3,(H,25,26,27)
InChI Key:
WLTFBUVJMBYUCR-UHFFFAOYSA-N
SMILES:
CCCCOc1cccc(c1)Nc1nc(Cl)nc2c1ncn2Cc1ccccc1
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
407.151g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
407.902g/mol
Monoisotopic Mass:
407.151g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
Literature
| Title | Journal |
|---|---|
| Antirhinovirus activity of 6-anilino-9-benzyl-2-chloro-9H-purines. | Journal of medicinal chemistry 19900501 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.