1-(2-chloranyl-2-phenyl-ethyl)-N-(3-fluorophenyl)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-(2-chloranyl-2-phenyl-ethyl)-N-(3-fluorophenyl)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-(2-chloro-2-phenyl-ethyl)-N-(3-fluorophenyl)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-(2-chloro-2-phenylethyl)-N-(3-fluorophenyl)-6-(methylthio)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-(2-chloro-2-phenylethyl)-N-(3-fluorophenyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-(2-chloro-2-phenyl-ethyl)-6-(methylthio)pyrazolo[3,4-d]pyrimidin-4-yl]-(3-fluorophenyl)amine Formula: C20H17ClFN5S MolecularWeight: 413.898883

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2CC(C3=CC=CC=C3)Cl)C(=N1)NC4=CC(=CC=C4)F

Isomeric SMILES

CSC1=NC2=C(C=NN2CC(C3=CC=CC=C3)Cl)C(=N1)NC4=CC(=CC=C4)F

InChI

InChI=1S/C20H17ClFN5S/c1-28-20-25-18(24-15-9-5-8-14(22)10-15)16-11-23-27(19(16)26-20)12-17(21)13-6-3-2-4-7-13/h2-11,17H,12H2,1H3,(H,24,25,26)