N-[3-[[8-bromanyl-6-(dimethylamino)purin-9-yl]methyl]phenyl]benzamide

Systemtic Name: N-[3-[[8-bromanyl-6-(dimethylamino)purin-9-yl]methyl]phenyl]benzamide Openeye Name: N-[3-[[8-bromo-6-(dimethylamino)purin-9-yl]methyl]phenyl]benzamide CAS Name: N-[3-[[8-bromo-6-(dimethylamino)-9-purinyl]methyl]phenyl]benzamide IUPAC Name: N-[3-[[8-bromo-6-(dimethylamino)purin-9-yl]methyl]phenyl]benzamide Traditional Name: N-[3-[[8-bromo-6-(dimethylamino)purin-9-yl]methyl]phenyl]benzamide Formula: C21H19BrN6O MolecularWeight: 451.31916

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=NC2=C1N=C(N2CC3=CC(=CC=C3)NC(=O)C4=CC=CC=C4)Br

Isomeric SMILES

CN(C)C1=NC=NC2=C1N=C(N2CC3=CC(=CC=C3)NC(=O)C4=CC=CC=C4)Br

InChI

InChI=1S/C21H19BrN6O/c1-27(2)18-17-19(24-13-23-18)28(21(22)26-17)12-14-7-6-10-16(11-14)25-20(29)15-8-4-3-5-9-15/h3-11,13H,12H2,1-2H3,(H,25,29)