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7280-81-1 | 3H-Purin-6-amine,3-(phenylmethyl)-
CAS No: 7280-81-1 Catalog No: AG005EM2 MDL No:MFCD02167626
Product Description
Catalog Number:
AG005EM2
Chemical Name:
3H-Purin-6-amine,3-(phenylmethyl)-
CAS Number:
7280-81-1
Molecular Formula:
C12H11N5
Molecular Weight:
225.2492
MDL Number:
MFCD02167626
IUPAC Name:
3-benzyl-7H-purin-6-imine
InChI:
InChI=1S/C12H11N5/c13-11-10-12(15-7-14-10)17(8-16-11)6-9-4-2-1-3-5-9/h1-5,7-8,13H,6H2,(H,14,15)
InChI Key:
CZJZYCFVITYHDO-UHFFFAOYSA-N
SMILES:
Nc1ncn(c2c1ncn2)Cc1ccccc1
NSC Number:
76926
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
225.255g/mol
Monoisotopic Mass:
225.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| 3-Substituted adenines. In vitro enzyme inhibition and antiviral activity. | Journal of medicinal chemistry 19790201 |
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