[3-methoxy-4-(3-oxidanylidene-1,2-dihydroimidazo[4,5-c]pyridazin-6-yl)phenyl] methanesulfonate

Systemtic Name: [3-methoxy-4-(3-oxidanylidene-1,2-dihydroimidazo[4,5-c]pyridazin-6-yl)phenyl] methanesulfonate Openeye Name: [3-methoxy-4-(3-oxo-1,2-dihydroimidazo[4,5-c]pyridazin-6-yl)phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-methoxy-4-(3-oxo-1,2-dihydroimidazo[4,5-c]pyridazin-6-yl)phenyl] ester IUPAC Name: [3-methoxy-4-(3-oxo-1,2-dihydroimidazo[4,5-c]pyridazin-6-yl)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-(3-keto-1,2-dihydroimidazo[4,5-c]pyridazin-6-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=CC(=O)NNC3=N2

Isomeric SMILES

COC1=C(C=CC(=C1)OS(=O)(=O)C)C2=NC3=CC(=O)NNC3=N2

InChI

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