3-[5-[[6-(ethylamino)-8-propan-2-yl-purin-3-yl]methyl]-2-methoxy-phenoxy]cyclopentan-1-ol hydrochloride

Systemtic Name: 3-[5-[[6-(ethylamino)-8-propan-2-yl-purin-3-yl]methyl]-2-methoxy-phenoxy]cyclopentan-1-ol hydrochloride Openeye Name: 3-[5-[[6-(ethylamino)-8-isopropyl-purin-3-yl]methyl]-2-methoxy-phenoxy]cyclopentanol hydrochloride CAS Name: 3-[5-[[6-(ethylamino)-8-propan-2-yl-3-purinyl]methyl]-2-methoxyphenoxy]-1-cyclopentanol hydrochloride IUPAC Name: 3-[5-[[6-(ethylamino)-8-propan-2-ylpurin-3-yl]methyl]-2-methoxyphenoxy]cyclopentan-1-ol hydrochloride Traditional Name: 3-[5-[[6-(ethylamino)-8-isopropyl-purin-3-yl]methyl]-2-methoxy-phenoxy]cyclopentanol hydrochloride Formula: C23H32ClN5O3 MolecularWeight: 461.98488

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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)OC4CCC(C4)O.Cl

Isomeric SMILES

CCNC1=C2C(=NC(=N2)C(C)C)N(C=N1)CC3=CC(=C(C=C3)OC)OC4CCC(C4)O.Cl

InChI

InChI=1S/C23H31N5O3.ClH/c1-5-24-22-20-23(27-21(26-20)14(2)3)28(13-25-22)12-15-6-9-18(30-4)19(10-15)31-17-8-7-16(29)11-17;/h6,9-10,13-14,16-17,24,29H,5,7-8,11-12H2,1-4H3;1H