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

Systemtic Name: 3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-8-(phenylmethoxymethyl)purin-6-amine Openeye Name: 8-(benzyloxymethyl)-3-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]purin-6-amine CAS Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-(phenylmethoxymethyl)-6-purinamine IUPAC Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-(phenylmethoxymethyl)purin-6-amine Traditional Name: [8-(benzoxymethyl)-3-[3-(cyclopentoxy)-4-methoxy-benzyl]purin-6-yl]amine Formula: C26H29N5O3 MolecularWeight: 459.54016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C=NC(=C3C2=NC(=N3)COCC4=CC=CC=C4)N)OC5CCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C=NC(=C3C2=NC(=N3)COCC4=CC=CC=C4)N)OC5CCCC5

InChI

InChI=1S/C26H29N5O3/c1-32-21-12-11-19(13-22(21)34-20-9-5-6-10-20)14-31-17-28-25(27)24-26(31)30-23(29-24)16-33-15-18-7-3-2-4-8-18/h2-4,7-8,11-13,17,20H,5-6,9-10,14-16,27H2,1H3