2-cyclopentyloxy-4-[[3-ethyl-6-(ethylamino)purin-8-yl]methyl]phenol hydrochloride

Systemtic Name: 2-cyclopentyloxy-4-[[3-ethyl-6-(ethylamino)purin-8-yl]methyl]phenol hydrochloride Openeye Name: 2-(cyclopentoxy)-4-[[3-ethyl-6-(ethylamino)purin-8-yl]methyl]phenol hydrochloride CAS Name: 2-cyclopentyloxy-4-[[3-ethyl-6-(ethylamino)-8-purinyl]methyl]phenol hydrochloride IUPAC Name: 2-cyclopentyloxy-4-[[3-ethyl-6-(ethylamino)purin-8-yl]methyl]phenol hydrochloride Traditional Name: 2-(cyclopentoxy)-4-[[3-ethyl-6-(ethylamino)purin-8-yl]methyl]phenol hydrochloride Formula: C21H28ClN5O2 MolecularWeight: 417.93232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C2C(=NC(=N2)CC3=CC(=C(C=C3)O)OC4CCCC4)N(C=N1)CC.Cl

Isomeric SMILES

CCNC1=C2C(=NC(=N2)CC3=CC(=C(C=C3)O)OC4CCCC4)N(C=N1)CC.Cl

InChI

InChI=1S/C21H27N5O2.ClH/c1-3-22-20-19-21(26(4-2)13-23-20)25-18(24-19)12-14-9-10-16(27)17(11-14)28-15-7-5-6-8-15;/h9-11,13,15,22,27H,3-8,12H2,1-2H3;1H