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

Systemtic Name: 4-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[(4-bromo-2-fluorophenyl)methylthio]-1-methylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-methylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[(4-bromo-2-fluoro-benzyl)thio]-1-methyl-pyrazolo[3,4-d]pyrimidine Formula: C13H10BrFN4S MolecularWeight: 353.212703

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C13H10BrFN4S/c1-19-12-10(5-18-19)13(17-7-16-12)20-6-8-2-3-9(14)4-11(8)15/h2-5,7H,6H2,1H3