4-carbamimidoyl-2-[[6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-7H-purin-2-yl]oxy]benzoic acid

Systemtic Name: 4-carbamimidoyl-2-[[6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-7H-purin-2-yl]oxy]benzoic acid Openeye Name: 4-carbamimidoyl-2-[[6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-7H-purin-2-yl]oxy]benzoic acid CAS Name: 4-carbamimidoyl-2-[[6-[3-[dimethylamino(oxo)methyl]phenoxy]-8-methyl-7H-purin-2-yl]oxy]benzoic acid IUPAC Name: 4-carbamimidoyl-2-[[6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-7H-purin-2-yl]oxy]benzoic acid Traditional Name: 4-amidino-2-[[6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-7H-purin-2-yl]oxy]benzoic acid Formula: C23H21N7O5 MolecularWeight: 475.45674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N7O5/c1-11-26-17-19(27-11)28-23(35-16-10-12(18(24)25)7-8-15(16)22(32)33)29-20(17)34-14-6-4-5-13(9-14)21(31)30(2)3/h4-10H,1-3H3,(H3,24,25)(H,32,33)(H,26,27,28,29)