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

Systemtic Name: 1-(2-bromanyl-2-phenyl-ethyl)-6-methylsulfanyl-N-phenethyl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-(2-bromo-2-phenyl-ethyl)-6-methylsulfanyl-N-phenethyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-(2-bromo-2-phenylethyl)-6-(methylthio)-N-phenethyl-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-(2-bromo-2-phenylethyl)-6-methylsulfanyl-N-phenethylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-(2-bromo-2-phenyl-ethyl)-6-(methylthio)pyrazolo[3,4-d]pyrimidin-4-yl]-phenethyl-amine Formula: C22H22BrN5S MolecularWeight: 468.41258

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2CC(C3=CC=CC=C3)Br)C(=N1)NCCC4=CC=CC=C4

Isomeric SMILES

CSC1=NC2=C(C=NN2CC(C3=CC=CC=C3)Br)C(=N1)NCCC4=CC=CC=C4

InChI

InChI=1S/C22H22BrN5S/c1-29-22-26-20(24-13-12-16-8-4-2-5-9-16)18-14-25-28(21(18)27-22)15-19(23)17-10-6-3-7-11-17/h2-11,14,19H,12-13,15H2,1H3,(H,24,26,27)