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

Systemtic Name: 4-carbamimidoyl-2-[[6-[3-(dimethylcarbamoyl)phenoxy]-8-ethyl-7H-purin-2-yl]oxy]benzoic acid Openeye Name: 4-carbamimidoyl-2-[[6-[3-(dimethylcarbamoyl)phenoxy]-8-ethyl-7H-purin-2-yl]oxy]benzoic acid CAS Name: 4-carbamimidoyl-2-[[6-[3-[dimethylamino(oxo)methyl]phenoxy]-8-ethyl-7H-purin-2-yl]oxy]benzoic acid IUPAC Name: 4-carbamimidoyl-2-[[6-[3-(dimethylcarbamoyl)phenoxy]-8-ethyl-7H-purin-2-yl]oxy]benzoic acid Traditional Name: 4-amidino-2-[[6-[3-(dimethylcarbamoyl)phenoxy]-8-ethyl-7H-purin-2-yl]oxy]benzoic acid Formula: C24H23N7O5 MolecularWeight: 489.48332

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

InChI

InChI=1S/C24H23N7O5/c1-4-17-27-18-20(28-17)29-24(36-16-11-12(19(25)26)8-9-15(16)23(33)34)30-21(18)35-14-7-5-6-13(10-14)22(32)31(2)3/h5-11H,4H2,1-3H3,(H3,25,26)(H,33,34)(H,27,28,29,30)