3-[[6-(4-carbamimidoyl-3-methyl-phenoxy)-8-methyl-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide

Systemtic Name: 3-[[6-(4-carbamimidoyl-3-methyl-phenoxy)-8-methyl-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide Openeye Name: 3-[[6-(4-carbamimidoyl-3-methyl-phenoxy)-8-methyl-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide CAS Name: 3-[[6-(4-carbamimidoyl-3-methylphenoxy)-8-methyl-7H-purin-2-yl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[[6-(4-carbamimidoyl-3-methylphenoxy)-8-methyl-7H-purin-2-yl]oxy]-N,N-dimethylbenzamide Traditional Name: 3-[[6-(4-amidino-3-methyl-phenoxy)-8-methyl-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide Formula: C23H23N7O3 MolecularWeight: 445.47382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=NC(=NC3=C2NC(=N3)C)OC4=CC=CC(=C4)C(=O)N(C)C)C(=N)N

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=NC(=NC3=C2NC(=N3)C)OC4=CC=CC(=C4)C(=O)N(C)C)C(=N)N

InChI

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