N-ethyl-1-(2-fluoranyl-4-methylsulfonyl-phenyl)-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-ethyl-1-(2-fluoranyl-4-methylsulfonyl-phenyl)-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-ethyl-1-(2-fluoro-4-methylsulfonyl-phenyl)-N-[[1-(2-pyridyl)-4-piperidyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-ethyl-1-(2-fluoro-4-methylsulfonylphenyl)-N-[[1-(2-pyridinyl)-4-piperidinyl]methyl]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-ethyl-1-(2-fluoro-4-methylsulfonylphenyl)-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: ethyl-[1-(2-fluoro-4-mesyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-[[1-(2-pyridyl)-4-piperidyl]methyl]amine Formula: C25H28FN7O2S MolecularWeight: 509.598923

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CCN(CC1)C2=CC=CC=N2)C3=NC=NC4=C3C=NN4C5=C(C=C(C=C5)S(=O)(=O)C)F

Isomeric SMILES

CCN(CC1CCN(CC1)C2=CC=CC=N2)C3=NC=NC4=C3C=NN4C5=C(C=C(C=C5)S(=O)(=O)C)F

InChI

InChI=1S/C25H28FN7O2S/c1-3-31(16-18-9-12-32(13-10-18)23-6-4-5-11-27-23)24-20-15-30-33(25(20)29-17-28-24)22-8-7-19(14-21(22)26)36(2,34)35/h4-8,11,14-15,17-18H,3,9-10,12-13,16H2,1-2H3