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

Systemtic Name: 3-[[2-(5-carbamimidoyl-2-methyl-phenoxy)-8-ethyl-7H-purin-6-yl]oxy]-N,N-dimethyl-benzamide Openeye Name: 3-[[2-(5-carbamimidoyl-2-methyl-phenoxy)-8-ethyl-7H-purin-6-yl]oxy]-N,N-dimethyl-benzamide CAS Name: 3-[[2-(5-carbamimidoyl-2-methylphenoxy)-8-ethyl-7H-purin-6-yl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[[2-(5-carbamimidoyl-2-methylphenoxy)-8-ethyl-7H-purin-6-yl]oxy]-N,N-dimethylbenzamide Traditional Name: 3-[[2-(5-amidino-2-methyl-phenoxy)-8-ethyl-7H-purin-6-yl]oxy]-N,N-dimethyl-benzamide Formula: C24H25N7O3 MolecularWeight: 459.5004

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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)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)OC4=CC=CC(=C4)C(=O)N(C)C

InChI

InChI=1S/C24H25N7O3/c1-5-18-27-19-21(28-18)29-24(34-17-12-14(20(25)26)10-9-13(17)2)30-22(19)33-16-8-6-7-15(11-16)23(32)31(3)4/h6-12H,5H2,1-4H3,(H3,25,26)(H,27,28,29,30)