4-[(9-cyclopentylpurin-8-yl)-ethyl-amino]phenol dihydrochloride

Systemtic Name: 4-[(9-cyclopentylpurin-8-yl)-ethyl-amino]phenol dihydrochloride Openeye Name: 4-[(9-cyclopentylpurin-8-yl)-ethyl-amino]phenol dihydrochloride CAS Name: 4-[(9-cyclopentyl-8-purinyl)-ethylamino]phenol dihydrochloride IUPAC Name: 4-[(9-cyclopentylpurin-8-yl)-ethylamino]phenol dihydrochloride Traditional Name: 4-[(9-cyclopentylpurin-8-yl)-ethyl-amino]phenol dihydrochloride Formula: C18H23Cl2N5O MolecularWeight: 396.31412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)O)C2=NC3=CN=CN=C3N2C4CCCC4.Cl.Cl

Isomeric SMILES

CCN(C1=CC=C(C=C1)O)C2=NC3=CN=CN=C3N2C4CCCC4.Cl.Cl

InChI

InChI=1S/C18H21N5O.2ClH/c1-2-22(13-7-9-15(24)10-8-13)18-21-16-11-19-12-20-17(16)23(18)14-5-3-4-6-14;;/h7-12,14,24H,2-6H2,1H3;2*1H