1-[4-(2-nitrophenyl)piperazin-1-yl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(2-nitrophenyl)piperazin-1-yl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 1-[4-(2-nitrophenyl)piperazin-1-yl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone CAS Name: 1-[4-(2-nitrophenyl)-1-piperazinyl]-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethanone IUPAC Name: 1-[4-(2-nitrophenyl)piperazin-1-yl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanone Traditional Name: 1-[4-(2-nitrophenyl)piperazino]-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]ethanone Formula: C23H21N7O3S MolecularWeight: 475.52294

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C(=O)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C(=O)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C23H21N7O3S/c31-21(28-12-10-27(11-13-28)19-8-4-5-9-20(19)30(32)33)15-34-23-18-14-26-29(22(18)24-16-25-23)17-6-2-1-3-7-17/h1-9,14,16H,10-13,15H2