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

Systemtic Name: 3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-N-ethyl-purin-6-amine hydrochloride Openeye Name: 3-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-N-ethyl-purin-6-amine hydrochloride CAS Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N-ethyl-6-purinamine hydrochloride IUPAC Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N-ethylpurin-6-amine hydrochloride Traditional Name: [3-[3-(cyclopentoxy)-4-methoxy-benzyl]purin-6-yl]-ethyl-amine hydrochloride Formula: C20H26ClN5O2 MolecularWeight: 403.90574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O2.ClH/c1-3-21-19-18-20(23-12-22-18)25(13-24-19)11-14-8-9-16(26-2)17(10-14)27-15-6-4-5-7-15;/h8-10,12-13,15,21H,3-7,11H2,1-2H3;1H