6-[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[[2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-oxoethyl]thio]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[[2-[4-(2-furoyl)piperazino]-2-keto-ethyl]thio]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C22H20N6O4S MolecularWeight: 464.497

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4)C(=O)C5=CC=CO5

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4)C(=O)C5=CC=CO5

InChI

InChI=1S/C22H20N6O4S/c29-18(26-8-10-27(11-9-26)21(31)17-7-4-12-32-17)14-33-22-24-19-16(20(30)25-22)13-23-28(19)15-5-2-1-3-6-15/h1-7,12-13,23H,8-11,14H2