[6-(4-methoxy-6-methyl-pyrimidin-2-yl)oxy-3,4-dihydropyridazin-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [6-(4-methoxy-6-methyl-pyrimidin-2-yl)oxy-3,4-dihydropyridazin-3-yl] 4-methylbenzenesulfonate Openeye Name: [6-(4-methoxy-6-methyl-pyrimidin-2-yl)oxy-3,4-dihydropyridazin-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-[(4-methoxy-6-methyl-2-pyrimidinyl)oxy]-3,4-dihydropyridazin-3-yl] ester IUPAC Name: [6-(4-methoxy-6-methylpyrimidin-2-yl)oxy-3,4-dihydropyridazin-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [6-(4-methoxy-6-methyl-pyrimidin-2-yl)oxy-3,4-dihydropyridazin-3-yl] ester Formula: C17H18N4O5S MolecularWeight: 390.41362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CC=C(N=N2)OC3=NC(=CC(=N3)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CC=C(N=N2)OC3=NC(=CC(=N3)OC)C

InChI

InChI=1S/C17H18N4O5S/c1-11-4-6-13(7-5-11)27(22,23)26-15-9-8-14(20-21-15)25-17-18-12(2)10-16(19-17)24-3/h4-8,10,15H,9H2,1-3H3