2-[3-[2-(aminocarbonylamino)phenoxy]-8-methyl-purin-2-yl]oxy-4-cyano-benzoic acid

Systemtic Name: 2-[3-[2-(aminocarbonylamino)phenoxy]-8-methyl-purin-2-yl]oxy-4-cyano-benzoic acid Openeye Name: 4-cyano-2-[8-methyl-3-(2-ureidophenoxy)purin-2-yl]oxy-benzoic acid CAS Name: 2-[[3-[2-(carbamoylamino)phenoxy]-8-methyl-2-purinyl]oxy]-4-cyanobenzoic acid IUPAC Name: 2-[3-[2-(carbamoylamino)phenoxy]-8-methylpurin-2-yl]oxy-4-cyanobenzoic acid Traditional Name: 4-cyano-2-[8-methyl-3-(2-ureidophenoxy)purin-2-yl]oxy-benzoic acid Formula: C21H15N7O5 MolecularWeight: 445.3877

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CN=C(N(C2=N1)OC3=CC=CC=C3NC(=O)N)OC4=C(C=CC(=C4)C#N)C(=O)O

Isomeric SMILES

CC1=NC2=CN=C(N(C2=N1)OC3=CC=CC=C3NC(=O)N)OC4=C(C=CC(=C4)C#N)C(=O)O

InChI

InChI=1S/C21H15N7O5/c1-11-25-15-10-24-21(32-17-8-12(9-22)6-7-13(17)19(29)30)28(18(15)26-11)33-16-5-3-2-4-14(16)27-20(23)31/h2-8,10H,1H3,(H,29,30)(H3,23,27,31)