N-[4-[4-azanyl-1-[1-(3-methylsulfanylpropyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-2-fluoranyl-4-(trifluoromethyl)benzamide

Systemtic Name: N-[4-[4-azanyl-1-[1-(3-methylsulfanylpropyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-2-fluoranyl-4-(trifluoromethyl)benzamide Openeye Name: N-[4-[4-amino-1-[1-(3-methylsulfanylpropyl)-4-piperidyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-2-fluoro-4-(trifluoromethyl)benzamide CAS Name: N-[4-[4-amino-1-[1-[3-(methylthio)propyl]-4-piperidinyl]-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]-2-fluoro-4-(trifluoromethyl)benzamide IUPAC Name: N-[4-[4-amino-1-[1-(3-methylsulfanylpropyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-2-fluoro-4-(trifluoromethyl)benzamide Traditional Name: N-[4-[4-amino-1-[1-[3-(methylthio)propyl]-4-piperidyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-2-fluoro-4-(trifluoromethyl)benzamide Formula: C29H31F4N7O2S MolecularWeight: 617.660753

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=NN(C3=C2C(=NC=N3)N)C4CCN(CC4)CCCSC)NC(=O)C5=C(C=C(C=C5)C(F)(F)F)F

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NN(C3=C2C(=NC=N3)N)C4CCN(CC4)CCCSC)NC(=O)C5=C(C=C(C=C5)C(F)(F)F)F

InChI

InChI=1S/C29H31F4N7O2S/c1-42-23-14-17(4-7-22(23)37-28(41)20-6-5-18(15-21(20)30)29(31,32)33)25-24-26(34)35-16-36-27(24)40(38-25)19-8-11-39(12-9-19)10-3-13-43-2/h4-7,14-16,19H,3,8-13H2,1-2H3,(H,37,41)(H2,34,35,36)