5-(2-bromophenyl)-6-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-(2-bromophenyl)-6-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(2-bromophenyl)-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(2-bromophenyl)-6-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-(2-bromophenyl)-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(2-bromophenyl)-6-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C23H21BrN6O2S MolecularWeight: 525.42084

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC4=C(C=NN4)C(=O)N3C5=CC=CC=C5Br

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC4=C(C=NN4)C(=O)N3C5=CC=CC=C5Br

InChI

InChI=1S/C23H21BrN6O2S/c24-18-8-4-5-9-19(18)30-22(32)17-14-25-27-21(17)26-23(30)33-15-20(31)29-12-10-28(11-13-29)16-6-2-1-3-7-16/h1-9,14H,10-13,15H2,(H,25,27)