7-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-6,8-dimethyl-2-(pyridazin-3-ylmethoxy)purine

Systemtic Name: 7-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-6,8-dimethyl-2-(pyridazin-3-ylmethoxy)purine Openeye Name: 7-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-6,8-dimethyl-2-(pyridazin-3-ylmethoxy)purine CAS Name: 7-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-6,8-dimethyl-2-(3-pyridazinylmethoxy)purine IUPAC Name: 7-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-6,8-dimethyl-2-(pyridazin-3-ylmethoxy)purine Traditional Name: 7-[3-(cyclopentoxy)-4-methoxy-benzyl]-6,8-dimethyl-2-(pyridazin-3-ylmethoxy)purine Formula: C25H28N6O3 MolecularWeight: 460.52822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC(=N1)OCC3=NN=CC=C3)N=C(N2CC4=CC(=C(C=C4)OC)OC5CCCC5)C

Isomeric SMILES

CC1=C2C(=NC(=N1)OCC3=NN=CC=C3)N=C(N2CC4=CC(=C(C=C4)OC)OC5CCCC5)C

InChI

InChI=1S/C25H28N6O3/c1-16-23-24(29-25(27-16)33-15-19-7-6-12-26-30-19)28-17(2)31(23)14-18-10-11-21(32-3)22(13-18)34-20-8-4-5-9-20/h6-7,10-13,20H,4-5,8-9,14-15H2,1-3H3