1-[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-yl]-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone

Systemtic Name: 1-[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-yl]-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone Openeye Name: 1-[4-(4-bromophenyl)-4-hydroxy-1-piperidyl]-2-phenyl-2-(4-thioxo-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone CAS Name: 1-[4-(4-bromophenyl)-4-hydroxy-1-piperidinyl]-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone IUPAC Name: 1-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone Traditional Name: 1-[4-(4-bromophenyl)-4-hydroxy-piperidino]-2-phenyl-2-(4-thioxo-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone Formula: C24H22BrN5O2S MolecularWeight: 524.43278

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=C(C=C2)Br)O)C(=O)C(C3=CC=CC=C3)N4C=NC5=C(C4=S)C=NN5

Isomeric SMILES

C1CN(CCC1(C2=CC=C(C=C2)Br)O)C(=O)C(C3=CC=CC=C3)N4C=NC5=C(C4=S)C=NN5

InChI

InChI=1S/C24H22BrN5O2S/c25-18-8-6-17(7-9-18)24(32)10-12-29(13-11-24)22(31)20(16-4-2-1-3-5-16)30-15-26-21-19(23(30)33)14-27-28-21/h1-9,14-15,20,32H,10-13H2,(H,27,28)