2-[3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-6-(ethylamino)purin-8-yl]propan-2-ol hydrochloride

Systemtic Name: 2-[3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-6-(ethylamino)purin-8-yl]propan-2-ol hydrochloride Openeye Name: 2-[3-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-6-(ethylamino)purin-8-yl]propan-2-ol hydrochloride CAS Name: 2-[3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-6-(ethylamino)-8-purinyl]-2-propanol hydrochloride IUPAC Name: 2-[3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-6-(ethylamino)purin-8-yl]propan-2-ol hydrochloride Traditional Name: 2-[3-[3-(cyclopentoxy)-4-methoxy-benzyl]-6-(ethylamino)purin-8-yl]propan-2-ol hydrochloride Formula: C23H32ClN5O3 MolecularWeight: 461.98488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O3.ClH/c1-5-24-20-19-21(27-22(26-19)23(2,3)29)28(14-25-20)13-15-10-11-17(30-4)18(12-15)31-16-8-6-7-9-16;/h10-12,14,16,24,29H,5-9,13H2,1-4H3;1H