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

Systemtic Name: 3-[2-(2-tert-butyl-5-carbamimidoyl-phenoxy)-8-methyl-9-(phenylmethyl)purin-6-yl]oxy-N,N-dimethyl-benzamide Openeye Name: 3-[9-benzyl-2-(2-tert-butyl-5-carbamimidoyl-phenoxy)-8-methyl-purin-6-yl]oxy-N,N-dimethyl-benzamide CAS Name: 3-[[2-(2-tert-butyl-5-carbamimidoylphenoxy)-8-methyl-9-(phenylmethyl)-6-purinyl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[9-benzyl-2-(2-tert-butyl-5-carbamimidoylphenoxy)-8-methylpurin-6-yl]oxy-N,N-dimethylbenzamide Traditional Name: 3-[2-(5-amidino-2-tert-butyl-phenoxy)-9-benzyl-8-methyl-purin-6-yl]oxy-N,N-dimethyl-benzamide Formula: C33H35N7O3 MolecularWeight: 577.6761

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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)C(C)(C)C

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)C(C)(C)C

InChI

InChI=1S/C33H35N7O3/c1-20-36-27-29(40(20)19-21-11-8-7-9-12-21)37-32(43-26-18-22(28(34)35)15-16-25(26)33(2,3)4)38-30(27)42-24-14-10-13-23(17-24)31(41)39(5)6/h7-18H,19H2,1-6H3,(H3,34,35)