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

Systemtic Name: 1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone CAS Name: 1-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethanone IUPAC Name: 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanone Traditional Name: 1-[4-(2-furoyl)piperazino]-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]ethanone Formula: C22H20N6O3S MolecularWeight: 448.4976

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4)C(=O)C5=CC=CO5

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4)C(=O)C5=CC=CO5

InChI

InChI=1S/C22H20N6O3S/c29-19(26-8-10-27(11-9-26)22(30)18-7-4-12-31-18)14-32-21-17-13-25-28(20(17)23-15-24-21)16-5-2-1-3-6-16/h1-7,12-13,15H,8-11,14H2