3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-N-ethyl-8-(phenylmethoxymethyl)purin-6-amine

Systemtic Name: 3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-N-ethyl-8-(phenylmethoxymethyl)purin-6-amine Openeye Name: 8-(benzyloxymethyl)-3-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-N-ethyl-purin-6-amine CAS Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N-ethyl-8-(phenylmethoxymethyl)-6-purinamine IUPAC Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N-ethyl-8-(phenylmethoxymethyl)purin-6-amine Traditional Name: [8-(benzoxymethyl)-3-[3-(cyclopentoxy)-4-methoxy-benzyl]purin-6-yl]-ethyl-amine Formula: C28H33N5O3 MolecularWeight: 487.59332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C2C(=NC(=N2)COCC3=CC=CC=C3)N(C=N1)CC4=CC(=C(C=C4)OC)OC5CCCC5

Isomeric SMILES

CCNC1=C2C(=NC(=N2)COCC3=CC=CC=C3)N(C=N1)CC4=CC(=C(C=C4)OC)OC5CCCC5

InChI

InChI=1S/C28H33N5O3/c1-3-29-27-26-28(32-25(31-26)18-35-17-20-9-5-4-6-10-20)33(19-30-27)16-21-13-14-23(34-2)24(15-21)36-22-11-7-8-12-22/h4-6,9-10,13-15,19,22,29H,3,7-8,11-12,16-18H2,1-2H3