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

Systemtic Name: 3-[2-(5-carbamimidoyl-2-methoxy-phenoxy)-8-methyl-9-(phenylmethyl)purin-6-yl]oxy-N,N-dimethyl-benzamide Openeye Name: 3-[9-benzyl-2-(5-carbamimidoyl-2-methoxy-phenoxy)-8-methyl-purin-6-yl]oxy-N,N-dimethyl-benzamide CAS Name: 3-[[2-(5-carbamimidoyl-2-methoxyphenoxy)-8-methyl-9-(phenylmethyl)-6-purinyl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[9-benzyl-2-(5-carbamimidoyl-2-methoxyphenoxy)-8-methylpurin-6-yl]oxy-N,N-dimethylbenzamide Traditional Name: 3-[2-(5-amidino-2-methoxy-phenoxy)-9-benzyl-8-methyl-purin-6-yl]oxy-N,N-dimethyl-benzamide Formula: C30H29N7O4 MolecularWeight: 551.59576

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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)OC

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)OC

InChI

InChI=1S/C30H29N7O4/c1-18-33-25-27(37(18)17-19-9-6-5-7-10-19)34-30(41-24-16-20(26(31)32)13-14-23(24)39-4)35-28(25)40-22-12-8-11-21(15-22)29(38)36(2)3/h5-16H,17H2,1-4H3,(H3,31,32)