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

Systemtic Name: 3-[[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid Openeye Name: 3-[[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid CAS Name: 3-[[1-(4-methylsulfonylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]-1-piperidinecarboxylic acid IUPAC Name: 3-[[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid Traditional Name: 3-[[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)NC4CCCN(C4)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NC4CCCN(C4)C(=O)O

InChI

InChI=1S/C18H20N6O4S/c1-29(27,28)14-6-4-13(5-7-14)24-17-15(9-21-24)16(19-11-20-17)22-12-3-2-8-23(10-12)18(25)26/h4-7,9,11-12H,2-3,8,10H2,1H3,(H,25,26)(H,19,20,22)