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

Systemtic Name: 3-[[6-(4-carbamimidoyl-3-methyl-phenoxy)-8-phenyl-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide Openeye Name: 3-[[6-(4-carbamimidoyl-3-methyl-phenoxy)-8-phenyl-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide CAS Name: 3-[[6-(4-carbamimidoyl-3-methylphenoxy)-8-phenyl-7H-purin-2-yl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[[6-(4-carbamimidoyl-3-methylphenoxy)-8-phenyl-7H-purin-2-yl]oxy]-N,N-dimethylbenzamide Traditional Name: 3-[[6-(4-amidino-3-methyl-phenoxy)-8-phenyl-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide Formula: C28H25N7O3 MolecularWeight: 507.5432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=NC(=NC3=C2NC(=N3)C4=CC=CC=C4)OC5=CC=CC(=C5)C(=O)N(C)C)C(=N)N

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=NC(=NC3=C2NC(=N3)C4=CC=CC=C4)OC5=CC=CC(=C5)C(=O)N(C)C)C(=N)N

InChI

InChI=1S/C28H25N7O3/c1-16-14-20(12-13-21(16)23(29)30)37-26-22-25(32-24(31-22)17-8-5-4-6-9-17)33-28(34-26)38-19-11-7-10-18(15-19)27(36)35(2)3/h4-15H,1-3H3,(H3,29,30)(H,31,32,33,34)