[4-(1H-imidazo[4,5-d]pyridazin-2-yl)-3-methoxy-phenyl] methanesulfonate

Systemtic Name: [4-(1H-imidazo[4,5-d]pyridazin-2-yl)-3-methoxy-phenyl] methanesulfonate Openeye Name: [4-(1H-imidazo[4,5-d]pyridazin-2-yl)-3-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-(1H-imidazo[4,5-d]pyridazin-2-yl)-3-methoxyphenyl] ester IUPAC Name: [4-(1H-imidazo[4,5-d]pyridazin-2-yl)-3-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-(1H-imidazo[4,5-d]pyridazin-2-yl)-3-methoxy-phenyl] ester Formula: C13H12N4O4S MolecularWeight: 320.32378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)OS(=O)(=O)C)C2=NC3=CN=NC=C3N2

Isomeric SMILES

COC1=C(C=CC(=C1)OS(=O)(=O)C)C2=NC3=CN=NC=C3N2

InChI

InChI=1S/C13H12N4O4S/c1-20-12-5-8(21-22(2,18)19)3-4-9(12)13-16-10-6-14-15-7-11(10)17-13/h3-7H,1-2H3,(H,16,17)