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

Systemtic Name: 3-[[6-(5-carbamimidoyl-2-methyl-phenoxy)-8-(phenylmethyl)-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide Openeye Name: 3-[[8-benzyl-6-(5-carbamimidoyl-2-methyl-phenoxy)-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide CAS Name: 3-[[6-(5-carbamimidoyl-2-methylphenoxy)-8-(phenylmethyl)-7H-purin-2-yl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[[8-benzyl-6-(5-carbamimidoyl-2-methylphenoxy)-7H-purin-2-yl]oxy]-N,N-dimethylbenzamide Traditional Name: 3-[[6-(5-amidino-2-methyl-phenoxy)-8-benzyl-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide Formula: C29H27N7O3 MolecularWeight: 521.56978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=N)N)OC2=NC(=NC3=C2NC(=N3)CC4=CC=CC=C4)OC5=CC=CC(=C5)C(=O)N(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=N)N)OC2=NC(=NC3=C2NC(=N3)CC4=CC=CC=C4)OC5=CC=CC(=C5)C(=O)N(C)C

InChI

InChI=1S/C29H27N7O3/c1-17-12-13-19(25(30)31)16-22(17)39-27-24-26(33-23(32-24)14-18-8-5-4-6-9-18)34-29(35-27)38-21-11-7-10-20(15-21)28(37)36(2)3/h4-13,15-16H,14H2,1-3H3,(H3,30,31)(H,32,33,34,35)