200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 1807-85-8
1807-85-8 | 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(phenylmethyl)-
CAS No: 1807-85-8 Catalog No: AG00229D MDL No:
Product Description
Catalog Number:
AG00229D
Chemical Name:
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(phenylmethyl)-
CAS Number:
1807-85-8
Molecular Formula:
C14H14N4O2
Molecular Weight:
270.2866
IUPAC Name:
7-benzyl-1,3-dimethylpurine-2,6-dione
InChI:
InChI=1S/C14H14N4O2/c1-16-12-11(13(19)17(2)14(16)20)18(9-15-12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChI Key:
WXWQVDBZDNPNLZ-UHFFFAOYSA-N
SMILES:
Cn1c(=O)n(C)c2c(c1=O)n(cn2)Cc1ccccc1
NSC Number:
14130
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.112g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.292g/mol
Monoisotopic Mass:
270.112g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| Structure-activity relationships at human and rat A2B adenosine receptors of xanthine derivatives substituted at the 1-, 3-, 7-, and 8-positions. | Journal of medicinal chemistry 20020523 |
Related Products
© 2019 Angene International Limited. All rights Reserved.