[3-methoxy-4-(4-oxidanylideneimidazo[4,5-d]pyridazin-2-yl)phenyl] methanesulfonate

Systemtic Name: [3-methoxy-4-(4-oxidanylideneimidazo[4,5-d]pyridazin-2-yl)phenyl] methanesulfonate Openeye Name: [3-methoxy-4-(4-oxoimidazo[4,5-d]pyridazin-2-yl)phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-methoxy-4-(4-oxo-2-imidazo[4,5-d]pyridazinyl)phenyl] ester IUPAC Name: [3-methoxy-4-(4-oxoimidazo[4,5-d]pyridazin-2-yl)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-(4-ketoimidazo[4,5-d]pyridazin-2-yl)-3-methoxy-phenyl] ester Formula: C13H10N4O5S MolecularWeight: 334.3073

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N4O5S/c1-21-10-5-7(22-23(2,19)20)3-4-8(10)12-15-9-6-14-17-13(18)11(9)16-12/h3-6H,1-2H3