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

Systemtic Name: 4-[[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid Openeye Name: 4-[[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid CAS Name: 4-[[1-(4-methylsulfonylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]-1-piperidinecarboxylic acid IUPAC Name: 4-[[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid Traditional Name: 4-[[1-(4-mesylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid Formula: C18H20N6O4S MolecularWeight: 416.4542

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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)NC4CCN(CC4)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NC4CCN(CC4)C(=O)O

InChI

InChI=1S/C18H20N6O4S/c1-29(27,28)14-4-2-13(3-5-14)24-17-15(10-21-24)16(19-11-20-17)22-12-6-8-23(9-7-12)18(25)26/h2-5,10-12H,6-9H2,1H3,(H,25,26)(H,19,20,22)