200,000+ products from a single source!
sales@angenechem.com
125802-48-4 | 9H-Purin-6-amine, 2-chloro-N-[4-(methylthio)phenyl]-9-(phenylmethyl)-
CAS No: 125802-48-4 Catalog No: AG000ORT MDL No:
Product Description
Catalog Number:
AG000ORT
Chemical Name:
9H-Purin-6-amine, 2-chloro-N-[4-(methylthio)phenyl]-9-(phenylmethyl)-
CAS Number:
125802-48-4
Molecular Formula:
C19H16ClN5S
Molecular Weight:
381.8818
IUPAC Name:
9-benzyl-2-chloro-N-(4-methylsulfanylphenyl)purin-6-amine
InChI:
InChI=1S/C19H16ClN5S/c1-26-15-9-7-14(8-10-15)22-17-16-18(24-19(20)23-17)25(12-21-16)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,22,23,24)
InChI Key:
XHNRRGSSXJGHPV-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)Nc1nc(Cl)nc2c1ncn2Cc1ccccc1
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.081g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
381.882g/mol
Monoisotopic Mass:
381.081g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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.