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

Systemtic Name: 3-[[2-(2-tert-butyl-5-carbamimidoyl-phenoxy)-8-methyl-7H-purin-6-yl]oxy]-N,N-dimethyl-benzamide Openeye Name: 3-[[2-(2-tert-butyl-5-carbamimidoyl-phenoxy)-8-methyl-7H-purin-6-yl]oxy]-N,N-dimethyl-benzamide CAS Name: 3-[[2-(2-tert-butyl-5-carbamimidoylphenoxy)-8-methyl-7H-purin-6-yl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[[2-(2-tert-butyl-5-carbamimidoylphenoxy)-8-methyl-7H-purin-6-yl]oxy]-N,N-dimethylbenzamide Traditional Name: 3-[[2-(5-amidino-2-tert-butyl-phenoxy)-8-methyl-7H-purin-6-yl]oxy]-N,N-dimethyl-benzamide Formula: C26H29N7O3 MolecularWeight: 487.55356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1)C(=NC(=N2)OC3=C(C=CC(=C3)C(=N)N)C(C)(C)C)OC4=CC=CC(=C4)C(=O)N(C)C

Isomeric SMILES

CC1=NC2=C(N1)C(=NC(=N2)OC3=C(C=CC(=C3)C(=N)N)C(C)(C)C)OC4=CC=CC(=C4)C(=O)N(C)C

InChI

InChI=1S/C26H29N7O3/c1-14-29-20-22(30-14)31-25(36-19-13-15(21(27)28)10-11-18(19)26(2,3)4)32-23(20)35-17-9-7-8-16(12-17)24(34)33(5)6/h7-13H,1-6H3,(H3,27,28)(H,29,30,31,32)