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

Systemtic Name: 1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 1-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone CAS Name: 1-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethanone IUPAC Name: 1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanone Traditional Name: 1-[4-(2-naphthylsulfonyl)piperazino]-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]ethanone Formula: C27H24N6O3S2 MolecularWeight: 544.64786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4)S(=O)(=O)C5=CC6=CC=CC=C6C=C5

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4)S(=O)(=O)C5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C27H24N6O3S2/c34-25(18-37-27-24-17-30-33(26(24)28-19-29-27)22-8-2-1-3-9-22)31-12-14-32(15-13-31)38(35,36)23-11-10-20-6-4-5-7-21(20)16-23/h1-11,16-17,19H,12-15,18H2