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

Systemtic Name: 1-[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-yl]-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone Openeye Name: 1-[4-(4-bromophenyl)-4-hydroxy-1-piperidyl]-2-(4-thioxo-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone CAS Name: 1-[4-(4-bromophenyl)-4-hydroxy-1-piperidinyl]-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone IUPAC Name: 1-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone Traditional Name: 1-[4-(4-bromophenyl)-4-hydroxy-piperidino]-2-(4-thioxo-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone Formula: C18H18BrN5O2S MolecularWeight: 448.33682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=C(C=C2)Br)O)C(=O)CN3C=NC4=C(C3=S)C=NN4

Isomeric SMILES

C1CN(CCC1(C2=CC=C(C=C2)Br)O)C(=O)CN3C=NC4=C(C3=S)C=NN4

InChI

InChI=1S/C18H18BrN5O2S/c19-13-3-1-12(2-4-13)18(26)5-7-23(8-6-18)15(25)10-24-11-20-16-14(17(24)27)9-21-22-16/h1-4,9,11,26H,5-8,10H2,(H,21,22)