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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC1=CC=C(C=C1)C#N)C2=NC3=C(N=CN(C3=N2)CC4=CC(=C(C=C4)OC)OC5CCCC5)N

Isomeric SMILES

CC(C)(COC1=CC=C(C=C1)C#N)C2=NC3=C(N=CN(C3=N2)CC4=CC(=C(C=C4)OC)OC5CCCC5)N

InChI

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