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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)SCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)SCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H15BrN4OS/c21-16-8-6-15(7-9-16)18(26)12-27-20-17-10-24-25(19(17)22-13-23-20)11-14-4-2-1-3-5-14/h1-10,13H,11-12H2