4-methyl-3-[8-methyl-2-[3-(1-methylimidazol-2-yl)phenoxy]-9-(phenylmethyl)purin-6-yl]oxy-benzenecarbonitrile

Systemtic Name: 4-methyl-3-[8-methyl-2-[3-(1-methylimidazol-2-yl)phenoxy]-9-(phenylmethyl)purin-6-yl]oxy-benzenecarbonitrile Openeye Name: 3-[9-benzyl-8-methyl-2-[3-(1-methylimidazol-2-yl)phenoxy]purin-6-yl]oxy-4-methyl-benzonitrile CAS Name: 4-methyl-3-[[8-methyl-2-[3-(1-methyl-2-imidazolyl)phenoxy]-9-(phenylmethyl)-6-purinyl]oxy]benzonitrile IUPAC Name: 3-[9-benzyl-8-methyl-2-[3-(1-methylimidazol-2-yl)phenoxy]purin-6-yl]oxy-4-methylbenzonitrile Traditional Name: 3-[9-benzyl-8-methyl-2-[3-(1-methylimidazol-2-yl)phenoxy]purin-6-yl]oxy-4-methyl-benzonitrile Formula: C31H25N7O2 MolecularWeight: 527.5759

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C#N)OC2=NC(=NC3=C2N=C(N3CC4=CC=CC=C4)C)OC5=CC=CC(=C5)C6=NC=CN6C

Isomeric SMILES

CC1=C(C=C(C=C1)C#N)OC2=NC(=NC3=C2N=C(N3CC4=CC=CC=C4)C)OC5=CC=CC(=C5)C6=NC=CN6C

InChI

InChI=1S/C31H25N7O2/c1-20-12-13-23(18-32)16-26(20)40-30-27-29(38(21(2)34-27)19-22-8-5-4-6-9-22)35-31(36-30)39-25-11-7-10-24(17-25)28-33-14-15-37(28)3/h4-17H,19H2,1-3H3