[4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]-pyridazin-4-yl-methanone

Systemtic Name: [4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]-pyridazin-4-yl-methanone Openeye Name: [4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxy-1-piperidyl]-pyridazin-4-yl-methanone CAS Name: [4-[[1-(4-methylsulfonylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]oxy]-1-piperidinyl]-(4-pyridazinyl)methanone IUPAC Name: [4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]-pyridazin-4-ylmethanone Traditional Name: [4-[1-(4-mesylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidino]-pyridazin-4-yl-methanone Formula: C22H21N7O4S MolecularWeight: 479.51164

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)OC4CCN(CC4)C(=O)C5=CN=NC=C5

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)OC4CCN(CC4)C(=O)C5=CN=NC=C5

InChI

InChI=1S/C22H21N7O4S/c1-34(31,32)18-4-2-16(3-5-18)29-20-19(13-27-29)21(24-14-23-20)33-17-7-10-28(11-8-17)22(30)15-6-9-25-26-12-15/h2-6,9,12-14,17H,7-8,10-11H2,1H3