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160516-06-3 | 9H-Purine, 6,9-bis(phenylmethyl)-
CAS No: 160516-06-3 Catalog No: AG001RZ7 MDL No:
Product Description
Catalog Number:
AG001RZ7
Chemical Name:
9H-Purine, 6,9-bis(phenylmethyl)-
CAS Number:
160516-06-3
Molecular Formula:
C19H16N4
Molecular Weight:
300.3571
IUPAC Name:
6,9-dibenzylpurine
InChI:
InChI=1S/C19H16N4/c1-3-7-15(8-4-1)11-17-18-19(21-13-20-17)23(14-22-18)12-16-9-5-2-6-10-16/h1-10,13-14H,11-12H2
InChI Key:
YWMIDKOXBBMSTB-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Cn1cnc2c1ncnc2Cc1ccccc1
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.137g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.365g/mol
Monoisotopic Mass:
300.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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