4-[1-[(9-cyclopentylpurin-2-yl)amino]ethyl]phenol dihydrochloride

Systemtic Name: 4-[1-[(9-cyclopentylpurin-2-yl)amino]ethyl]phenol dihydrochloride Openeye Name: 4-[1-[(9-cyclopentylpurin-2-yl)amino]ethyl]phenol dihydrochloride CAS Name: 4-[1-[(9-cyclopentyl-2-purinyl)amino]ethyl]phenol dihydrochloride IUPAC Name: 4-[1-[(9-cyclopentylpurin-2-yl)amino]ethyl]phenol dihydrochloride Traditional Name: 4-[1-[(9-cyclopentylpurin-2-yl)amino]ethyl]phenol dihydrochloride Formula: C18H23Cl2N5O MolecularWeight: 396.31412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)O)NC2=NC=C3C(=N2)N(C=N3)C4CCCC4.Cl.Cl

Isomeric SMILES

CC(C1=CC=C(C=C1)O)NC2=NC=C3C(=N2)N(C=N3)C4CCCC4.Cl.Cl

InChI

InChI=1S/C18H21N5O.2ClH/c1-12(13-6-8-15(24)9-7-13)21-18-19-10-16-17(22-18)23(11-20-16)14-4-2-3-5-14;;/h6-12,14,24H,2-5H2,1H3,(H,19,21,22);2*1H