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

Systemtic Name: 1-(2-bromanyl-2-phenyl-ethyl)-N-butyl-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-(2-bromo-2-phenyl-ethyl)-N-butyl-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-(2-bromo-2-phenylethyl)-N-butyl-6-(methylthio)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-(2-bromo-2-phenylethyl)-N-butyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-(2-bromo-2-phenyl-ethyl)-6-(methylthio)pyrazolo[3,4-d]pyrimidin-4-yl]-butyl-amine Formula: C18H22BrN5S MolecularWeight: 420.36978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC2=C1C=NN2CC(C3=CC=CC=C3)Br)SC

Isomeric SMILES

CCCCNC1=NC(=NC2=C1C=NN2CC(C3=CC=CC=C3)Br)SC

InChI

InChI=1S/C18H22BrN5S/c1-3-4-10-20-16-14-11-21-24(17(14)23-18(22-16)25-2)12-15(19)13-8-6-5-7-9-13/h5-9,11,15H,3-4,10,12H2,1-2H3,(H,20,22,23)