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

Systemtic Name: 3-[[2-(5-carbamimidoyl-2-methyl-phenoxy)-8-methyl-7H-purin-6-yl]oxy]-N,N-dimethyl-benzamide Openeye Name: 3-[[2-(5-carbamimidoyl-2-methyl-phenoxy)-8-methyl-7H-purin-6-yl]oxy]-N,N-dimethyl-benzamide CAS Name: 3-[[2-(5-carbamimidoyl-2-methylphenoxy)-8-methyl-7H-purin-6-yl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[[2-(5-carbamimidoyl-2-methylphenoxy)-8-methyl-7H-purin-6-yl]oxy]-N,N-dimethylbenzamide Traditional Name: 3-[[2-(5-amidino-2-methyl-phenoxy)-8-methyl-7H-purin-6-yl]oxy]-N,N-dimethyl-benzamide Formula: C23H23N7O3 MolecularWeight: 445.47382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=N)N)OC2=NC3=C(C(=N2)OC4=CC=CC(=C4)C(=O)N(C)C)NC(=N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=N)N)OC2=NC3=C(C(=N2)OC4=CC=CC(=C4)C(=O)N(C)C)NC(=N3)C

InChI

InChI=1S/C23H23N7O3/c1-12-8-9-14(19(24)25)11-17(12)33-23-28-20-18(26-13(2)27-20)21(29-23)32-16-7-5-6-15(10-16)22(31)30(3)4/h5-11H,1-4H3,(H3,24,25)(H,26,27,28,29)