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

Systemtic Name: (phenylmethyl) 4-carbamimidoyl-2-[[6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-7H-purin-2-yl]oxy]benzoate Openeye Name: benzyl 4-carbamimidoyl-2-[[6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-7H-purin-2-yl]oxy]benzoate CAS Name: 4-carbamimidoyl-2-[[6-[3-[dimethylamino(oxo)methyl]phenoxy]-8-methyl-7H-purin-2-yl]oxy]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-carbamimidoyl-2-[[6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-7H-purin-2-yl]oxy]benzoate Traditional Name: 4-amidino-2-[[6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-7H-purin-2-yl]oxy]benzoic acid benzyl ester Formula: C30H27N7O5 MolecularWeight: 565.57928

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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)OCC4=CC=CC=C4)OC5=CC=CC(=C5)C(=O)N(C)C

Isomeric SMILES

CC1=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/C30H27N7O5/c1-17-33-24-26(34-17)35-30(36-27(24)41-21-11-7-10-20(14-21)28(38)37(2)3)42-23-15-19(25(31)32)12-13-22(23)29(39)40-16-18-8-5-4-6-9-18/h4-15H,16H2,1-3H3,(H3,31,32)(H,33,34,35,36)