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

Systemtic Name: 3-methyl-1-[4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxy-1-piperidyl]butan-1-one CAS Name: 3-methyl-1-[4-[[1-(4-methylsulfonylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]oxy]-1-piperidinyl]-1-butanone IUPAC Name: 3-methyl-1-[4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]butan-1-one Traditional Name: 1-[4-[1-(4-mesylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidino]-3-methyl-butan-1-one Formula: C22H27N5O4S MolecularWeight: 457.54588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCC(CC1)OC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC(C)CC(=O)N1CCC(CC1)OC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C22H27N5O4S/c1-15(2)12-20(28)26-10-8-17(9-11-26)31-22-19-13-25-27(21(19)23-14-24-22)16-4-6-18(7-5-16)32(3,29)30/h4-7,13-15,17H,8-12H2,1-3H3