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

Systemtic Name: [4-(3-oxidanylpurin-8-yl)-3-propoxy-phenyl] methanesulfonate Openeye Name: [4-(3-hydroxypurin-8-yl)-3-propoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-(3-hydroxy-8-purinyl)-3-propoxyphenyl] ester IUPAC Name: [4-(3-hydroxypurin-8-yl)-3-propoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-(3-hydroxypurin-8-yl)-3-propoxy-phenyl] ester Formula: C15H16N4O5S MolecularWeight: 364.37634

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)OS(=O)(=O)C)C2=NC3=CN=CN(C3=N2)O

Isomeric SMILES

CCCOC1=C(C=CC(=C1)OS(=O)(=O)C)C2=NC3=CN=CN(C3=N2)O

InChI

InChI=1S/C15H16N4O5S/c1-3-6-23-13-7-10(24-25(2,21)22)4-5-11(13)14-17-12-8-16-9-19(20)15(12)18-14/h4-5,7-9,20H,3,6H2,1-2H3