3-(5-ethyl-4-methylsulfonyl-pyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine

Systemtic Name: 3-(5-ethyl-4-methylsulfonyl-pyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine Openeye Name: 3-(5-ethyl-4-methylsulfonyl-pyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine CAS Name: 3-(5-ethyl-4-methylsulfonyl-2-pyrimidinyl)-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine IUPAC Name: 3-(5-ethyl-4-methylsulfonylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine Traditional Name: 3-(5-ethyl-4-mesyl-pyrimidin-2-yl)-1-(2-fluorobenzyl)pyrazolo[3,4-b]pyridine Formula: C20H18FN5O2S MolecularWeight: 411.452623

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(N=C1S(=O)(=O)C)C2=NN(C3=C2C=CC=N3)CC4=CC=CC=C4F

Isomeric SMILES

CCC1=CN=C(N=C1S(=O)(=O)C)C2=NN(C3=C2C=CC=N3)CC4=CC=CC=C4F

InChI

InChI=1S/C20H18FN5O2S/c1-3-13-11-23-18(24-20(13)29(2,27)28)17-15-8-6-10-22-19(15)26(25-17)12-14-7-4-5-9-16(14)21/h4-11H,3,12H2,1-2H3