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

Systemtic Name: 4-ethoxy-3-[[8-methyl-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-7H-purin-6-yl]oxy]benzenecarbonitrile Openeye Name: 4-ethoxy-3-[[8-methyl-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-7H-purin-6-yl]oxy]benzonitrile CAS Name: 4-ethoxy-3-[[8-methyl-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-7H-purin-6-yl]oxy]benzonitrile IUPAC Name: 4-ethoxy-3-[[8-methyl-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-7H-purin-6-yl]oxy]benzonitrile Traditional Name: 4-ethoxy-3-[[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=C(C=C(C=C1)C#N)OC2=NC(=NC3=C2NC(=N3)C)OC4=CC=CC(=C4)C5=NCCN5C

Isomeric SMILES

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

InChI

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