4-[1-(2-bromanyl-2-phenyl-ethyl)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-4-yl]morpholine

Systemtic Name: 4-[1-(2-bromanyl-2-phenyl-ethyl)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-4-yl]morpholine Openeye Name: 4-[1-(2-bromo-2-phenyl-ethyl)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-4-yl]morpholine CAS Name: 4-[1-(2-bromo-2-phenylethyl)-6-(methylthio)-4-pyrazolo[3,4-d]pyrimidinyl]morpholine IUPAC Name: 4-[1-(2-bromo-2-phenylethyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-yl]morpholine Traditional Name: 4-[1-(2-bromo-2-phenyl-ethyl)-6-(methylthio)pyrazolo[3,4-d]pyrimidin-4-yl]morpholine Formula: C18H20BrN5OS MolecularWeight: 434.3533

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2CC(C3=CC=CC=C3)Br)C(=N1)N4CCOCC4

Isomeric SMILES

CSC1=NC2=C(C=NN2CC(C3=CC=CC=C3)Br)C(=N1)N4CCOCC4

InChI

InChI=1S/C18H20BrN5OS/c1-26-18-21-16(23-7-9-25-10-8-23)14-11-20-24(17(14)22-18)12-15(19)13-5-3-2-4-6-13/h2-6,11,15H,7-10,12H2,1H3