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

Systemtic Name: 3-[[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylic acid Openeye Name: 3-[[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylic acid CAS Name: 3-[[1-(4-methylsulfonylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]-1-pyrrolidinecarboxylic acid IUPAC Name: 3-[[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylic acid Traditional Name: 3-[[1-(4-mesylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylic acid Formula: C17H18N6O4S MolecularWeight: 402.42762

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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(C4)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NC4CCN(C4)C(=O)O

InChI

InChI=1S/C17H18N6O4S/c1-28(26,27)13-4-2-12(3-5-13)23-16-14(8-20-23)15(18-10-19-16)21-11-6-7-22(9-11)17(24)25/h2-5,8,10-11H,6-7,9H2,1H3,(H,24,25)(H,18,19,21)