5-[[6-(ethylamino)-8-(2-oxidanylpropan-2-yl)purin-3-yl]methyl]-2-methoxy-phenol hydrochloride

Systemtic Name: 5-[[6-(ethylamino)-8-(2-oxidanylpropan-2-yl)purin-3-yl]methyl]-2-methoxy-phenol hydrochloride Openeye Name: 5-[[6-(ethylamino)-8-(1-hydroxy-1-methyl-ethyl)purin-3-yl]methyl]-2-methoxy-phenol hydrochloride CAS Name: 5-[[6-(ethylamino)-8-(2-hydroxypropan-2-yl)-3-purinyl]methyl]-2-methoxyphenol hydrochloride IUPAC Name: 5-[[6-(ethylamino)-8-(2-hydroxypropan-2-yl)purin-3-yl]methyl]-2-methoxyphenol hydrochloride Traditional Name: 5-[[6-(ethylamino)-8-(1-hydroxy-1-methyl-ethyl)purin-3-yl]methyl]-2-methoxy-phenol hydrochloride Formula: C18H24ClN5O3 MolecularWeight: 393.86786

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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)O.Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O3.ClH/c1-5-19-15-14-16(22-17(21-14)18(2,3)25)23(10-20-15)9-11-6-7-13(26-4)12(24)8-11;/h6-8,10,19,24-25H,5,9H2,1-4H3;1H