1-(2-bromanyl-2-phenyl-ethyl)-4-chloranyl-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-(2-bromanyl-2-phenyl-ethyl)-4-chloranyl-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 1-(2-bromo-2-phenyl-ethyl)-4-chloro-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidine CAS Name: 1-(2-bromo-2-phenylethyl)-4-chloro-6-(methylthio)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-(2-bromo-2-phenylethyl)-4-chloro-6-methylsulfanylpyrazolo[3,4-d]pyrimidine Traditional Name: 1-(2-bromo-2-phenyl-ethyl)-4-chloro-6-(methylthio)pyrazolo[3,4-d]pyrimidine Formula: C14H12BrClN4S MolecularWeight: 383.69388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12BrClN4S/c1-21-14-18-12(16)10-7-17-20(13(10)19-14)8-11(15)9-5-3-2-4-6-9/h2-7,11H,8H2,1H3