2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-thiophen-2-ylsulfonyl-pyrimidin-4-amine

Systemtic Name: 2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-thiophen-2-ylsulfonyl-pyrimidin-4-amine Openeye Name: 2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-(2-thienylsulfonyl)pyrimidin-4-amine CAS Name: 2-[1-[(2-fluorophenyl)methyl]-3-pyrazolo[3,4-b]pyridinyl]-5-thiophen-2-ylsulfonyl-4-pyrimidinamine IUPAC Name: 2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-thiophen-2-ylsulfonylpyrimidin-4-amine Traditional Name: [2-[1-(2-fluorobenzyl)pyrazolo[3,4-b]pyridin-3-yl]-5-(2-thienylsulfonyl)pyrimidin-4-yl]amine Formula: C21H15FN6O2S2 MolecularWeight: 466.511203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C3=C(C=CC=N3)C(=N2)C4=NC=C(C(=N4)N)S(=O)(=O)C5=CC=CS5)F

Isomeric SMILES

C1=CC=C(C(=C1)CN2C3=C(C=CC=N3)C(=N2)C4=NC=C(C(=N4)N)S(=O)(=O)C5=CC=CS5)F

InChI

InChI=1S/C21H15FN6O2S2/c22-15-7-2-1-5-13(15)12-28-21-14(6-3-9-24-21)18(27-28)20-25-11-16(19(23)26-20)32(29,30)17-8-4-10-31-17/h1-11H,12H2,(H2,23,25,26)