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

Systemtic Name: [3-methoxy-4-(3-oxidanylpurin-8-yl)phenyl] methanesulfonate Openeye Name: [4-(3-hydroxypurin-8-yl)-3-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-(3-hydroxy-8-purinyl)-3-methoxyphenyl] ester IUPAC Name: [4-(3-hydroxypurin-8-yl)-3-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-(3-hydroxypurin-8-yl)-3-methoxy-phenyl] ester Formula: C13H12N4O5S MolecularWeight: 336.32318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)OS(=O)(=O)C)C2=NC3=CN=CN(C3=N2)O

Isomeric SMILES

COC1=C(C=CC(=C1)OS(=O)(=O)C)C2=NC3=CN=CN(C3=N2)O

InChI

InChI=1S/C13H12N4O5S/c1-21-11-5-8(22-23(2,19)20)3-4-9(11)12-15-10-6-14-7-17(18)13(10)16-12/h3-7,18H,1-2H3