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

Systemtic Name: 3-[[2-(2-tert-butyl-5-carbamimidoyl-phenoxy)-8-ethyl-7H-purin-6-yl]oxy]-N,N-dimethyl-benzamide Openeye Name: 3-[[2-(2-tert-butyl-5-carbamimidoyl-phenoxy)-8-ethyl-7H-purin-6-yl]oxy]-N,N-dimethyl-benzamide CAS Name: 3-[[2-(2-tert-butyl-5-carbamimidoylphenoxy)-8-ethyl-7H-purin-6-yl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[[2-(2-tert-butyl-5-carbamimidoylphenoxy)-8-ethyl-7H-purin-6-yl]oxy]-N,N-dimethylbenzamide Traditional Name: 3-[[2-(5-amidino-2-tert-butyl-phenoxy)-8-ethyl-7H-purin-6-yl]oxy]-N,N-dimethyl-benzamide Formula: C27H31N7O3 MolecularWeight: 501.58014

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=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

CCC1=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/C27H31N7O3/c1-7-20-30-21-23(31-20)32-26(37-19-14-15(22(28)29)11-12-18(19)27(2,3)4)33-24(21)36-17-10-8-9-16(13-17)25(35)34(5)6/h8-14H,7H2,1-6H3,(H3,28,29)(H,30,31,32,33)