3-[2-(3-chloranyl-5-methoxy-phenoxy)-8-methyl-9-(phenylmethyl)purin-6-yl]oxy-4-ethoxy-benzenecarbonitrile

Systemtic Name: 3-[2-(3-chloranyl-5-methoxy-phenoxy)-8-methyl-9-(phenylmethyl)purin-6-yl]oxy-4-ethoxy-benzenecarbonitrile Openeye Name: 3-[9-benzyl-2-(3-chloro-5-methoxy-phenoxy)-8-methyl-purin-6-yl]oxy-4-ethoxy-benzonitrile CAS Name: 3-[[2-(3-chloro-5-methoxyphenoxy)-8-methyl-9-(phenylmethyl)-6-purinyl]oxy]-4-ethoxybenzonitrile IUPAC Name: 3-[9-benzyl-2-(3-chloro-5-methoxyphenoxy)-8-methylpurin-6-yl]oxy-4-ethoxybenzonitrile Traditional Name: 3-[9-benzyl-2-(3-chloro-5-methoxy-phenoxy)-8-methyl-purin-6-yl]oxy-4-ethoxy-benzonitrile Formula: C29H24ClN5O4 MolecularWeight: 541.98496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C#N)OC2=NC(=NC3=C2N=C(N3CC4=CC=CC=C4)C)OC5=CC(=CC(=C5)Cl)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C#N)OC2=NC(=NC3=C2N=C(N3CC4=CC=CC=C4)C)OC5=CC(=CC(=C5)Cl)OC

InChI

InChI=1S/C29H24ClN5O4/c1-4-37-24-11-10-20(16-31)12-25(24)39-28-26-27(35(18(2)32-26)17-19-8-6-5-7-9-19)33-29(34-28)38-23-14-21(30)13-22(15-23)36-3/h5-15H,4,17H2,1-3H3