3-[[6-(3-azanyl-4-carbamimidoyl-phenoxy)-8-phenyl-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide

Systemtic Name: 3-[[6-(3-azanyl-4-carbamimidoyl-phenoxy)-8-phenyl-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide Openeye Name: 3-[[6-(3-amino-4-carbamimidoyl-phenoxy)-8-phenyl-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide CAS Name: 3-[[6-(3-amino-4-carbamimidoylphenoxy)-8-phenyl-7H-purin-2-yl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[[6-(3-amino-4-carbamimidoylphenoxy)-8-phenyl-7H-purin-2-yl]oxy]-N,N-dimethylbenzamide Traditional Name: 3-[[6-(4-amidino-3-amino-phenoxy)-8-phenyl-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide Formula: C27H24N8O3 MolecularWeight: 508.53126

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC(=CC=C1)OC2=NC3=C(C(=N2)OC4=CC(=C(C=C4)C(=N)N)N)NC(=N3)C5=CC=CC=C5

Isomeric SMILES

CN(C)C(=O)C1=CC(=CC=C1)OC2=NC3=C(C(=N2)OC4=CC(=C(C=C4)C(=N)N)N)NC(=N3)C5=CC=CC=C5

InChI

InChI=1S/C27H24N8O3/c1-35(2)26(36)16-9-6-10-17(13-16)38-27-33-24-21(31-23(32-24)15-7-4-3-5-8-15)25(34-27)37-18-11-12-19(22(29)30)20(28)14-18/h3-14H,28H2,1-2H3,(H3,29,30)(H,31,32,33,34)