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

Systemtic Name: (phenylmethyl) 4-carbamimidoyl-2-[[6-[3-(dimethylcarbamoyl)phenoxy]-8-ethyl-7H-purin-2-yl]oxy]benzoate Openeye Name: benzyl 4-carbamimidoyl-2-[[6-[3-(dimethylcarbamoyl)phenoxy]-8-ethyl-7H-purin-2-yl]oxy]benzoate CAS Name: 4-carbamimidoyl-2-[[6-[3-[dimethylamino(oxo)methyl]phenoxy]-8-ethyl-7H-purin-2-yl]oxy]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-carbamimidoyl-2-[[6-[3-(dimethylcarbamoyl)phenoxy]-8-ethyl-7H-purin-2-yl]oxy]benzoate Traditional Name: 4-amidino-2-[[6-[3-(dimethylcarbamoyl)phenoxy]-8-ethyl-7H-purin-2-yl]oxy]benzoic acid benzyl ester Formula: C31H29N7O5 MolecularWeight: 579.60586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1)C(=NC(=N2)OC3=C(C=CC(=C3)C(=N)N)C(=O)OCC4=CC=CC=C4)OC5=CC=CC(=C5)C(=O)N(C)C

Isomeric SMILES

CCC1=NC2=C(N1)C(=NC(=N2)OC3=C(C=CC(=C3)C(=N)N)C(=O)OCC4=CC=CC=C4)OC5=CC=CC(=C5)C(=O)N(C)C

InChI

InChI=1S/C31H29N7O5/c1-4-24-34-25-27(35-24)36-31(37-28(25)42-21-12-8-11-20(15-21)29(39)38(2)3)43-23-16-19(26(32)33)13-14-22(23)30(40)41-17-18-9-6-5-7-10-18/h5-16H,4,17H2,1-3H3,(H3,32,33)(H,34,35,36,37)