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

Systemtic Name: 3-[[6-(5-carbamimidoyl-2-chloranyl-phenoxy)-8-methyl-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide Openeye Name: 3-[[6-(5-carbamimidoyl-2-chloro-phenoxy)-8-methyl-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide CAS Name: 3-[[6-(5-carbamimidoyl-2-chlorophenoxy)-8-methyl-7H-purin-2-yl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[[6-(5-carbamimidoyl-2-chlorophenoxy)-8-methyl-7H-purin-2-yl]oxy]-N,N-dimethylbenzamide Traditional Name: 3-[[6-(5-amidino-2-chloro-phenoxy)-8-methyl-7H-purin-2-yl]oxy]-N,N-dimethyl-benzamide Formula: C22H20ClN7O3 MolecularWeight: 465.8923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClN7O3/c1-11-26-17-19(27-11)28-22(32-14-6-4-5-13(9-14)21(31)30(2)3)29-20(17)33-16-10-12(18(24)25)7-8-15(16)23/h4-10H,1-3H3,(H3,24,25)(H,26,27,28,29)