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9-(2-bromanyl-4,6-dimethoxy-phenyl)-2-methyl-6-[2-(trifluoromethyl)phenyl]-7H-purin-8-one

9-(2-bromanyl-4,6-dimethoxy-phenyl)-2-methyl-6-[2-(trifluoromethyl)phenyl]-7H-purin-8-one

Systemtic Name:9-(2-bromanyl-4,6-dimethoxy-phenyl)-2-methyl-6-[2-(trifluoromethyl)phenyl]-7H-purin-8-one
Openeye Name:9-(2-bromo-4,6-dimethoxy-phenyl)-2-methyl-6-[2-(trifluoromethyl)phenyl]-7H-purin-8-one
CAS Name:9-(2-bromo-4,6-dimethoxyphenyl)-2-methyl-6-[2-(trifluoromethyl)phenyl]-7H-purin-8-one
IUPAC Name:9-(2-bromo-4,6-dimethoxyphenyl)-2-methyl-6-[2-(trifluoromethyl)phenyl]-7H-purin-8-one
Traditional Name:9-(2-bromo-4,6-dimethoxy-phenyl)-2-methyl-6-[2-(trifluoromethyl)phenyl]-7H-purin-8-one
Formula: C21H16BrF3N4O3
MolecularWeight: 509.27595
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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=N1)N(C(=O)N2)C3=C(C=C(C=C3Br)OC)OC)C4=CC=CC=C4C(F)(F)F


Isomeric SMILES

CC1=NC(=C2C(=N1)N(C(=O)N2)C3=C(C=C(C=C3Br)OC)OC)C4=CC=CC=C4C(F)(F)F


InChI

InChI=1S/C21H16BrF3N4O3/c1-10-26-16(12-6-4-5-7-13(12)21(23,24)25)17-19(27-10)29(20(30)28-17)18-14(22)8-11(31-2)9-15(18)32-3/h4-9H,1-3H3,(H,28,30)


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