4-cyano-2-[8-methyl-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-9-(phenylmethyl)purin-6-yl]oxy-benzamide

Systemtic Name: 4-cyano-2-[8-methyl-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-9-(phenylmethyl)purin-6-yl]oxy-benzamide Openeye Name: 2-[9-benzyl-8-methyl-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]purin-6-yl]oxy-4-cyano-benzamide CAS Name: 4-cyano-2-[[8-methyl-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-9-(phenylmethyl)-6-purinyl]oxy]benzamide IUPAC Name: 2-[9-benzyl-8-methyl-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]purin-6-yl]oxy-4-cyanobenzamide Traditional Name: 2-[9-benzyl-8-methyl-2-[3-(1-methyl-2-imidazolin-2-yl)phenoxy]purin-6-yl]oxy-4-cyano-benzamide Formula: C31H26N8O3 MolecularWeight: 558.58994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=CC=C3)N=C(N=C2OC4=C(C=CC(=C4)C#N)C(=O)N)OC5=CC=CC(=C5)C6=NCCN6C

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=CC=C3)N=C(N=C2OC4=C(C=CC(=C4)C#N)C(=O)N)OC5=CC=CC(=C5)C6=NCCN6C

InChI

InChI=1S/C31H26N8O3/c1-19-35-26-29(39(19)18-20-7-4-3-5-8-20)36-31(41-23-10-6-9-22(16-23)28-34-13-14-38(28)2)37-30(26)42-25-15-21(17-32)11-12-24(25)27(33)40/h3-12,15-16H,13-14,18H2,1-2H3,(H2,33,40)