3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-N-ethyl-8-propan-2-yl-purin-6-amine hydrochloride

Systemtic Name: 3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-N-ethyl-8-propan-2-yl-purin-6-amine hydrochloride Openeye Name: 3-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-N-ethyl-8-isopropyl-purin-6-amine hydrochloride CAS Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N-ethyl-8-propan-2-yl-6-purinamine hydrochloride IUPAC Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N-ethyl-8-propan-2-ylpurin-6-amine hydrochloride Traditional Name: [3-[3-(cyclopentoxy)-4-methoxy-benzyl]-8-isopropyl-purin-6-yl]-ethyl-amine hydrochloride Formula: C23H32ClN5O2 MolecularWeight: 445.98548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O2.ClH/c1-5-24-22-20-23(27-21(26-20)15(2)3)28(14-25-22)13-16-10-11-18(29-4)19(12-16)30-17-8-6-7-9-17;/h10-12,14-15,17,24H,5-9,13H2,1-4H3;1H