1-[4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]butan-2-one

Systemtic Name: 1-[4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]butan-2-one Openeye Name: 1-[4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxy-1-piperidyl]butan-2-one CAS Name: 1-[4-[[1-(4-methylsulfonylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]oxy]-1-piperidinyl]-2-butanone IUPAC Name: 1-[4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]butan-2-one Traditional Name: 1-[4-[1-(4-mesylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidino]butan-2-one Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CN1CCC(CC1)OC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCC(=O)CN1CCC(CC1)OC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C21H25N5O4S/c1-3-16(27)13-25-10-8-17(9-11-25)30-21-19-12-24-26(20(19)22-14-23-21)15-4-6-18(7-5-15)31(2,28)29/h4-7,12,14,17H,3,8-11,13H2,1-2H3