[3-methoxy-4-(6-methylsulfonyloxy-7H-purin-8-yl)phenyl] methanesulfonate

Systemtic Name: [3-methoxy-4-(6-methylsulfonyloxy-7H-purin-8-yl)phenyl] methanesulfonate Openeye Name: [3-methoxy-4-(6-methylsulfonyloxy-7H-purin-8-yl)phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-methoxy-4-(6-methylsulfonyloxy-7H-purin-8-yl)phenyl] ester IUPAC Name: [3-methoxy-4-(6-methylsulfonyloxy-7H-purin-8-yl)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-methoxy-4-(6-methylsulfonyloxy-7H-purin-8-yl)phenyl] ester Formula: C14H14N4O7S2 MolecularWeight: 414.41356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)OS(=O)(=O)C)C2=NC3=C(N2)C(=NC=N3)OS(=O)(=O)C

Isomeric SMILES

COC1=C(C=CC(=C1)OS(=O)(=O)C)C2=NC3=C(N2)C(=NC=N3)OS(=O)(=O)C

InChI

InChI=1S/C14H14N4O7S2/c1-23-10-6-8(24-26(2,19)20)4-5-9(10)12-17-11-13(18-12)15-7-16-14(11)25-27(3,21)22/h4-7H,1-3H3,(H,15,16,17,18)