1-[4-(4-bromophenyl)phenyl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(4-bromophenyl)phenyl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 1-[4-(4-bromophenyl)phenyl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone CAS Name: 1-[4-(4-bromophenyl)phenyl]-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethanone IUPAC Name: 1-[4-(4-bromophenyl)phenyl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanone Traditional Name: 1-[4-(4-bromophenyl)phenyl]-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]ethanone Formula: C20H15BrN4OS MolecularWeight: 439.3283

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H15BrN4OS/c1-25-19-17(10-24-25)20(23-12-22-19)27-11-18(26)15-4-2-13(3-5-15)14-6-8-16(21)9-7-14/h2-10,12H,11H2,1H3