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

Systemtic Name: 5-[[6-azanyl-8-(2-oxidanylpropan-2-yl)purin-3-yl]methyl]-2-methoxy-phenol hydrochloride Openeye Name: 5-[[6-amino-8-(1-hydroxy-1-methyl-ethyl)purin-3-yl]methyl]-2-methoxy-phenol hydrochloride CAS Name: 5-[[6-amino-8-(2-hydroxypropan-2-yl)-3-purinyl]methyl]-2-methoxyphenol hydrochloride IUPAC Name: 5-[[6-amino-8-(2-hydroxypropan-2-yl)purin-3-yl]methyl]-2-methoxyphenol hydrochloride Traditional Name: 5-[[6-amino-8-(1-hydroxy-1-methyl-ethyl)purin-3-yl]methyl]-2-methoxy-phenol hydrochloride Formula: C16H20ClN5O3 MolecularWeight: 365.8147

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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)O)N)O.Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O3.ClH/c1-16(2,23)15-19-12-13(17)18-8-21(14(12)20-15)7-9-4-5-11(24-3)10(22)6-9;/h4-6,8,22-23H,7,17H2,1-3H3;1H