3-ethoxy-5-[[8-methyl-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-7H-purin-6-yl]oxy]benzenecarbonitrile

Systemtic Name: 3-ethoxy-5-[[8-methyl-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-7H-purin-6-yl]oxy]benzenecarbonitrile Openeye Name: 3-ethoxy-5-[[8-methyl-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-7H-purin-6-yl]oxy]benzonitrile CAS Name: 3-ethoxy-5-[[8-methyl-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-7H-purin-6-yl]oxy]benzonitrile IUPAC Name: 3-ethoxy-5-[[8-methyl-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-7H-purin-6-yl]oxy]benzonitrile Traditional Name: 3-ethoxy-5-[[8-methyl-2-[3-(1-methyl-2-imidazolin-2-yl)phenoxy]-7H-purin-6-yl]oxy]benzonitrile Formula: C25H23N7O3 MolecularWeight: 469.49522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)OC2=NC(=NC3=C2NC(=N3)C)OC4=CC=CC(=C4)C5=NCCN5C)C#N

Isomeric SMILES

CCOC1=CC(=CC(=C1)OC2=NC(=NC3=C2NC(=N3)C)OC4=CC=CC(=C4)C5=NCCN5C)C#N

InChI

InChI=1S/C25H23N7O3/c1-4-33-19-10-16(14-26)11-20(13-19)34-24-21-22(29-15(2)28-21)30-25(31-24)35-18-7-5-6-17(12-18)23-27-8-9-32(23)3/h5-7,10-13H,4,8-9H2,1-3H3,(H,28,29,30,31)