9-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-N-(2-pyridin-3-ylethyl)purin-6-amine

Systemtic Name: 9-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-N-(2-pyridin-3-ylethyl)purin-6-amine Openeye Name: 9-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-N-[2-(3-pyridyl)ethyl]purin-6-amine CAS Name: 9-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N-[2-(3-pyridinyl)ethyl]-6-purinamine IUPAC Name: 9-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N-(2-pyridin-3-ylethyl)purin-6-amine Traditional Name: [9-[3-(cyclopentoxy)-4-methoxy-benzyl]purin-6-yl]-[2-(3-pyridyl)ethyl]amine Formula: C25H28N6O2 MolecularWeight: 444.52882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C=NC3=C2N=CN=C3NCCC4=CN=CC=C4)OC5CCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C=NC3=C2N=CN=C3NCCC4=CN=CC=C4)OC5CCCC5

InChI

InChI=1S/C25H28N6O2/c1-32-21-9-8-19(13-22(21)33-20-6-2-3-7-20)15-31-17-30-23-24(28-16-29-25(23)31)27-12-10-18-5-4-11-26-14-18/h4-5,8-9,11,13-14,16-17,20H,2-3,6-7,10,12,15H2,1H3,(H,27,28,29)