3-[2-(5-carbamimidoyl-2-phenoxy-phenoxy)-8-methyl-9-(phenylmethyl)purin-6-yl]oxy-N,N-dimethyl-benzamide

Systemtic Name: 3-[2-(5-carbamimidoyl-2-phenoxy-phenoxy)-8-methyl-9-(phenylmethyl)purin-6-yl]oxy-N,N-dimethyl-benzamide Openeye Name: 3-[9-benzyl-2-(5-carbamimidoyl-2-phenoxy-phenoxy)-8-methyl-purin-6-yl]oxy-N,N-dimethyl-benzamide CAS Name: 3-[[2-(5-carbamimidoyl-2-phenoxyphenoxy)-8-methyl-9-(phenylmethyl)-6-purinyl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[9-benzyl-2-(5-carbamimidoyl-2-phenoxyphenoxy)-8-methylpurin-6-yl]oxy-N,N-dimethylbenzamide Traditional Name: 3-[2-(5-amidino-2-phenoxy-phenoxy)-9-benzyl-8-methyl-purin-6-yl]oxy-N,N-dimethyl-benzamide Formula: C35H31N7O4 MolecularWeight: 613.66514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=CC=C3)N=C(N=C2OC4=CC=CC(=C4)C(=O)N(C)C)OC5=C(C=CC(=C5)C(=N)N)OC6=CC=CC=C6

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=CC=C3)N=C(N=C2OC4=CC=CC(=C4)C(=O)N(C)C)OC5=C(C=CC(=C5)C(=N)N)OC6=CC=CC=C6

InChI

InChI=1S/C35H31N7O4/c1-22-38-30-32(42(22)21-23-11-6-4-7-12-23)39-35(40-33(30)45-27-16-10-13-25(19-27)34(43)41(2)3)46-29-20-24(31(36)37)17-18-28(29)44-26-14-8-5-9-15-26/h4-20H,21H2,1-3H3,(H3,36,37)