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

Systemtic Name: 4-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[(4-bromo-2-fluorophenyl)methylthio]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[(4-bromo-2-fluoro-benzyl)thio]-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C18H12BrFN4S MolecularWeight: 415.282083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC4=C(C=C(C=C4)Br)F

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C18H12BrFN4S/c19-13-7-6-12(16(20)8-13)10-25-18-15-9-23-24(17(15)21-11-22-18)14-4-2-1-3-5-14/h1-9,11H,10H2