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3649-38-5 | 1,7-dibenzylpurin-6-one
CAS No: 3649-38-5 Catalog No: AG0079OG MDL No:
Product Description
Catalog Number:
AG0079OG
Chemical Name:
1,7-dibenzylpurin-6-one
CAS Number:
3649-38-5
Molecular Formula:
C19H16N4O
Molecular Weight:
316.3565
IUPAC Name:
1,7-dibenzylpurin-6-one
InChI:
InChI=1S/C19H16N4O/c24-19-17-18(20-13-22(17)11-15-7-3-1-4-8-15)21-14-23(19)12-16-9-5-2-6-10-16/h1-10,13-14H,11-12H2
InChI Key:
AMLDVRKMVNSTCD-UHFFFAOYSA-N
SMILES:
O=c1n(cnc2c1n(cn2)Cc1ccccc1)Cc1ccccc1
NSC Number:
76929
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.132g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.364g/mol
Monoisotopic Mass:
316.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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