3-[[6-(3-bromanyl-5-carbamimidoyl-phenoxy)-8-methyl-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide

Systemtic Name: 3-[[6-(3-bromanyl-5-carbamimidoyl-phenoxy)-8-methyl-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide Openeye Name: 3-[[6-(3-bromo-5-carbamimidoyl-phenoxy)-8-methyl-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide CAS Name: 3-[[6-(3-bromo-5-carbamimidoylphenoxy)-8-methyl-7H-purin-2-yl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[[6-(3-bromo-5-carbamimidoylphenoxy)-8-methyl-7H-purin-2-yl]oxy]-N,N-dimethylbenzamide Traditional Name: 3-[[6-(3-amidino-5-bromo-phenoxy)-8-methyl-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide Formula: C22H20BrN7O3 MolecularWeight: 510.3433

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1)C(=NC(=N2)OC3=CC=CC(=C3)C(=O)N(C)C)OC4=CC(=CC(=C4)C(=N)N)Br

Isomeric SMILES

CC1=NC2=C(N1)C(=NC(=N2)OC3=CC=CC(=C3)C(=O)N(C)C)OC4=CC(=CC(=C4)C(=N)N)Br

InChI

InChI=1S/C22H20BrN7O3/c1-11-26-17-19(27-11)28-22(33-15-6-4-5-12(8-15)21(31)30(2)3)29-20(17)32-16-9-13(18(24)25)7-14(23)10-16/h4-10H,1-3H3,(H3,24,25)(H,26,27,28,29)