(4-imidazo[1,2-a][1,3,5]triazin-7-yl-3-methoxy-phenyl) methanesulfonate

Systemtic Name: (4-imidazo[1,2-a][1,3,5]triazin-7-yl-3-methoxy-phenyl) methanesulfonate Openeye Name: (4-imidazo[1,2-a][1,3,5]triazin-7-yl-3-methoxy-phenyl) methanesulfonate CAS Name: methanesulfonic acid [4-(7-imidazo[1,2-a][1,3,5]triazinyl)-3-methoxyphenyl] ester IUPAC Name: (4-imidazo[1,2-a][1,3,5]triazin-7-yl-3-methoxyphenyl) methanesulfonate Traditional Name: methanesulfonic acid (4-imidazo[1,2-a][1,3,5]triazin-7-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=CN3C=NC=NC3=N2

Isomeric SMILES

COC1=C(C=CC(=C1)OS(=O)(=O)C)C2=CN3C=NC=NC3=N2

InChI

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