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4-methyl-7-phenyl-6-[4-(trifluoromethyl)phenyl]purino[7,8-a]imidazole-1,3-dione

4-methyl-7-phenyl-6-[4-(trifluoromethyl)phenyl]purino[7,8-a]imidazole-1,3-dione

Systemtic Name:4-methyl-7-phenyl-6-[4-(trifluoromethyl)phenyl]purino[7,8-a]imidazole-1,3-dione
Openeye Name:4-methyl-7-phenyl-6-[4-(trifluoromethyl)phenyl]purino[7,8-a]imidazole-1,3-dione
CAS Name:4-methyl-7-phenyl-6-[4-(trifluoromethyl)phenyl]purino[7,8-a]imidazole-1,3-dione
IUPAC Name:4-methyl-7-phenyl-6-[4-(trifluoromethyl)phenyl]purino[7,8-a]imidazole-1,3-dione
Traditional Name:4-methyl-7-phenyl-6-[4-(trifluoromethyl)phenyl]purin[7,8-a]imidazole-1,3-quinone
Formula: C21H14F3N5O2
MolecularWeight: 425.36337
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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N3C=C(N(C3=N2)C4=CC=C(C=C4)C(F)(F)F)C5=CC=CC=C5


Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N3C=C(N(C3=N2)C4=CC=C(C=C4)C(F)(F)F)C5=CC=CC=C5


InChI

InChI=1S/C21H14F3N5O2/c1-27-17-16(18(30)26-20(27)31)28-11-15(12-5-3-2-4-6-12)29(19(28)25-17)14-9-7-13(8-10-14)21(22,23)24/h2-11H,1H3,(H,26,30,31)


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