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

Systemtic Name: 3-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxyazetidine-1-carboxylic acid Openeye Name: 3-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxyazetidine-1-carboxylic acid CAS Name: 3-[[1-(4-methylsulfonylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]oxy]-1-azetidinecarboxylic acid IUPAC Name: 3-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxyazetidine-1-carboxylic acid Traditional Name: 3-[1-(4-mesylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxyazetidine-1-carboxylic acid Formula: C16H15N5O5S MolecularWeight: 389.3858

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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)OC4CN(C4)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)OC4CN(C4)C(=O)O

InChI

InChI=1S/C16H15N5O5S/c1-27(24,25)12-4-2-10(3-5-12)21-14-13(6-19-21)15(18-9-17-14)26-11-7-20(8-11)16(22)23/h2-6,9,11H,7-8H2,1H3,(H,22,23)