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3,7-Dibenzylpurine-2,6-Dione
[CAS# 139927-86-9]

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Identification
Name 3,7-Dibenzylpurine-2,6-Dione
Synonyms 3,7-Bis(Benzyl)Xanthine; Nsc515480; Zinc00049727
Molecular Structure CAS#: 139927-86-9, 3,7-Dibenzylpurine-2,6-Dione
Molecular Formula C19H16N4O2
Molecular Weight 332.36
CAS Registry Number 139927-86-9
SMILES C4=CC=C(C[N]1C3=C(N=C1)N(CC2=CC=CC=C2)C(=O)NC3=O)C=C4
InChI 1S/C19H16N4O2/c24-18-16-17(20-13-22(16)11-14-7-3-1-4-8-14)23(19(25)21-18)12-15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,21,24,25)
InChIKey GMANCBOGUXSDSL-UHFFFAOYSA-N
Properties
Density 1.33g/cm3 (Cal.)
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