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

Systemtic Name: 3-[2-(2-azanyl-5-carbamimidoyl-phenoxy)-8-methyl-9-(phenylmethyl)purin-6-yl]oxy-N,N-dimethyl-benzamide Openeye Name: 3-[2-(2-amino-5-carbamimidoyl-phenoxy)-9-benzyl-8-methyl-purin-6-yl]oxy-N,N-dimethyl-benzamide CAS Name: 3-[[2-(2-amino-5-carbamimidoylphenoxy)-8-methyl-9-(phenylmethyl)-6-purinyl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[2-(2-amino-5-carbamimidoylphenoxy)-9-benzyl-8-methylpurin-6-yl]oxy-N,N-dimethylbenzamide Traditional Name: 3-[2-(5-amidino-2-amino-phenoxy)-9-benzyl-8-methyl-purin-6-yl]oxy-N,N-dimethyl-benzamide Formula: C29H28N8O3 MolecularWeight: 536.58442

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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)N

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)N

InChI

InChI=1S/C29H28N8O3/c1-17-33-24-26(37(17)16-18-8-5-4-6-9-18)34-29(40-23-15-19(25(31)32)12-13-22(23)30)35-27(24)39-21-11-7-10-20(14-21)28(38)36(2)3/h4-15H,16,30H2,1-3H3,(H3,31,32)