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

Systemtic Name: 3-[5-[[6-azanyl-8-(2-oxidanylpropan-2-yl)purin-3-yl]methyl]-2-methoxy-phenoxy]cyclopentan-1-ol hydrochloride Openeye Name: 3-[5-[[6-amino-8-(1-hydroxy-1-methyl-ethyl)purin-3-yl]methyl]-2-methoxy-phenoxy]cyclopentanol hydrochloride CAS Name: 3-[5-[[6-amino-8-(2-hydroxypropan-2-yl)-3-purinyl]methyl]-2-methoxyphenoxy]-1-cyclopentanol hydrochloride IUPAC Name: 3-[5-[[6-amino-8-(2-hydroxypropan-2-yl)purin-3-yl]methyl]-2-methoxyphenoxy]cyclopentan-1-ol hydrochloride Traditional Name: 3-[5-[[6-amino-8-(1-hydroxy-1-methyl-ethyl)purin-3-yl]methyl]-2-methoxy-phenoxy]cyclopentanol hydrochloride Formula: C21H28ClN5O4 MolecularWeight: 449.93112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=NC2=C(N=CN(C2=N1)CC3=CC(=C(C=C3)OC)OC4CCC(C4)O)N)O.Cl

Isomeric SMILES

CC(C)(C1=NC2=C(N=CN(C2=N1)CC3=CC(=C(C=C3)OC)OC4CCC(C4)O)N)O.Cl

InChI

InChI=1S/C21H27N5O4.ClH/c1-21(2,28)20-24-17-18(22)23-11-26(19(17)25-20)10-12-4-7-15(29-3)16(8-12)30-14-6-5-13(27)9-14;/h4,7-8,11,13-14,27-28H,5-6,9-10,22H2,1-3H3;1H