4-cyano-2-[6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-9-(phenylmethyl)purin-2-yl]oxy-benzoic acid

Systemtic Name: 4-cyano-2-[6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-9-(phenylmethyl)purin-2-yl]oxy-benzoic acid Openeye Name: 2-[9-benzyl-6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-2-yl]oxy-4-cyano-benzoic acid CAS Name: 4-cyano-2-[[6-[3-[dimethylamino(oxo)methyl]phenoxy]-8-methyl-9-(phenylmethyl)-2-purinyl]oxy]benzoic acid IUPAC Name: 2-[9-benzyl-6-[3-(dimethylcarbamoyl)phenoxy]-8-methylpurin-2-yl]oxy-4-cyanobenzoic acid Traditional Name: 2-[9-benzyl-6-[3-(dimethylcarbamoyl)phenoxy]-8-methyl-purin-2-yl]oxy-4-cyano-benzoic acid Formula: C30H24N6O5 MolecularWeight: 548.54876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=CC=C3)N=C(N=C2OC4=CC=CC(=C4)C(=O)N(C)C)OC5=C(C=CC(=C5)C#N)C(=O)O

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=CC=C3)N=C(N=C2OC4=CC=CC(=C4)C(=O)N(C)C)OC5=C(C=CC(=C5)C#N)C(=O)O

InChI

InChI=1S/C30H24N6O5/c1-18-32-25-26(36(18)17-19-8-5-4-6-9-19)33-30(41-24-14-20(16-31)12-13-23(24)29(38)39)34-27(25)40-22-11-7-10-21(15-22)28(37)35(2)3/h4-15H,17H2,1-3H3,(H,38,39)