4-[3-methyl-1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid

Systemtic Name: 4-[3-methyl-1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid Openeye Name: 4-[3-methyl-1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid CAS Name: 4-[[3-methyl-1-(4-methylsulfonylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]oxy]-1-piperidinecarboxylic acid IUPAC Name: 4-[3-methyl-1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid Traditional Name: 4-[1-(4-mesylphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid Formula: C19H21N5O5S MolecularWeight: 431.46554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=NC=N2)OC3CCN(CC3)C(=O)O)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1=NN(C2=C1C(=NC=N2)OC3CCN(CC3)C(=O)O)C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C19H21N5O5S/c1-12-16-17(24(22-12)13-3-5-15(6-4-13)30(2,27)28)20-11-21-18(16)29-14-7-9-23(10-8-14)19(25)26/h3-6,11,14H,7-10H2,1-2H3,(H,25,26)