[3-ethoxy-4-(3-oxidanylpurin-8-yl)phenyl] methanesulfonate

Systemtic Name: [3-ethoxy-4-(3-oxidanylpurin-8-yl)phenyl] methanesulfonate Openeye Name: [3-ethoxy-4-(3-hydroxypurin-8-yl)phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-ethoxy-4-(3-hydroxy-8-purinyl)phenyl] ester IUPAC Name: [3-ethoxy-4-(3-hydroxypurin-8-yl)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-ethoxy-4-(3-hydroxypurin-8-yl)phenyl] ester Formula: C14H14N4O5S MolecularWeight: 350.34976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)OS(=O)(=O)C)C2=NC3=CN=CN(C3=N2)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)OS(=O)(=O)C)C2=NC3=CN=CN(C3=N2)O

InChI

InChI=1S/C14H14N4O5S/c1-3-22-12-6-9(23-24(2,20)21)4-5-10(12)13-16-11-7-15-8-18(19)14(11)17-13/h4-8,19H,3H2,1-2H3