4-[2-[6-azanyl-3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]purin-8-yl]propan-2-yloxymethyl]benzenecarbonitrile

Systemtic Name: 4-[2-[6-azanyl-3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]purin-8-yl]propan-2-yloxymethyl]benzenecarbonitrile Openeye Name: 4-[[1-[6-amino-3-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]purin-8-yl]-1-methyl-ethoxy]methyl]benzonitrile CAS Name: 4-[2-[6-amino-3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-purinyl]propan-2-yloxymethyl]benzonitrile IUPAC Name: 4-[2-[6-amino-3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]purin-8-yl]propan-2-yloxymethyl]benzonitrile Traditional Name: 4-[[1-[6-amino-3-[3-(cyclopentoxy)-4-methoxy-benzyl]purin-8-yl]-1-methyl-ethoxy]methyl]benzonitrile Formula: C29H32N6O3 MolecularWeight: 512.60278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=NC2=C(N=CN(C2=N1)CC3=CC(=C(C=C3)OC)OC4CCCC4)N)OCC5=CC=C(C=C5)C#N

Isomeric SMILES

CC(C)(C1=NC2=C(N=CN(C2=N1)CC3=CC(=C(C=C3)OC)OC4CCCC4)N)OCC5=CC=C(C=C5)C#N

InChI

InChI=1S/C29H32N6O3/c1-29(2,37-17-20-10-8-19(15-30)9-11-20)28-33-25-26(31)32-18-35(27(25)34-28)16-21-12-13-23(36-3)24(14-21)38-22-6-4-5-7-22/h8-14,18,22H,4-7,16-17,31H2,1-3H3