2-[4-[3-(hydroxymethyl)-1-(4-methylsulfonylphenyl)-6-oxidanylidene-pyridazin-4-yl]oxypiperidin-1-yl]pyrimidine-5-carbonitrile

Systemtic Name: 2-[4-[3-(hydroxymethyl)-1-(4-methylsulfonylphenyl)-6-oxidanylidene-pyridazin-4-yl]oxypiperidin-1-yl]pyrimidine-5-carbonitrile Openeye Name: 2-[4-[3-(hydroxymethyl)-1-(4-methylsulfonylphenyl)-6-oxo-pyridazin-4-yl]oxy-1-piperidyl]pyrimidine-5-carbonitrile CAS Name: 2-[4-[[3-(hydroxymethyl)-1-(4-methylsulfonylphenyl)-6-oxo-4-pyridazinyl]oxy]-1-piperidinyl]-5-pyrimidinecarbonitrile IUPAC Name: 2-[4-[3-(hydroxymethyl)-1-(4-methylsulfonylphenyl)-6-oxopyridazin-4-yl]oxypiperidin-1-yl]pyrimidine-5-carbonitrile Traditional Name: 2-[4-[6-keto-1-(4-mesylphenyl)-3-methylol-pyridazin-4-yl]oxypiperidino]pyrimidine-5-carbonitrile Formula: C22H22N6O5S MolecularWeight: 482.51228

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H22N6O5S/c1-34(31,32)18-4-2-16(3-5-18)28-21(30)10-20(19(14-29)26-28)33-17-6-8-27(9-7-17)22-24-12-15(11-23)13-25-22/h2-5,10,12-13,17,29H,6-9,14H2,1H3