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

Systemtic Name: 1-(2-bromanyl-2-phenyl-ethyl)-6-methylsulfanyl-N-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-benzyl-1-(2-bromo-2-phenyl-ethyl)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-(2-bromo-2-phenylethyl)-6-(methylthio)-N-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-benzyl-1-(2-bromo-2-phenylethyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: benzyl-[1-(2-bromo-2-phenyl-ethyl)-6-(methylthio)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C21H20BrN5S MolecularWeight: 454.386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2CC(C3=CC=CC=C3)Br)C(=N1)NCC4=CC=CC=C4

Isomeric SMILES

CSC1=NC2=C(C=NN2CC(C3=CC=CC=C3)Br)C(=N1)NCC4=CC=CC=C4

InChI

InChI=1S/C21H20BrN5S/c1-28-21-25-19(23-12-15-8-4-2-5-9-15)17-13-24-27(20(17)26-21)14-18(22)16-10-6-3-7-11-16/h2-11,13,18H,12,14H2,1H3,(H,23,25,26)