5-[1-(5-chloranylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(hydroxymethyl)-2-(4-methylsulfonylphenyl)pyridazin-3-one

Systemtic Name: 5-[1-(5-chloranylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(hydroxymethyl)-2-(4-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 5-[[1-(5-chloropyrimidin-2-yl)-4-piperidyl]oxy]-6-(hydroxymethyl)-2-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 5-[[1-(5-chloro-2-pyrimidinyl)-4-piperidinyl]oxy]-6-(hydroxymethyl)-2-(4-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 5-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxy-6-(hydroxymethyl)-2-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 5-[[1-(5-chloropyrimidin-2-yl)-4-piperidyl]oxy]-2-(4-mesylphenyl)-6-methylol-pyridazin-3-one Formula: C21H22ClN5O5S MolecularWeight: 491.94788

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N2C(=O)C=C(C(=N2)CO)OC3CCN(CC3)C4=NC=C(C=N4)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C(=O)C=C(C(=N2)CO)OC3CCN(CC3)C4=NC=C(C=N4)Cl

InChI

InChI=1S/C21H22ClN5O5S/c1-33(30,31)17-4-2-15(3-5-17)27-20(29)10-19(18(13-28)25-27)32-16-6-8-26(9-7-16)21-23-11-14(22)12-24-21/h2-5,10-12,16,28H,6-9,13H2,1H3