6-[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 6-[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-6-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl]-1H-pyrimidin-4-one CAS Name: 6-[2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-oxoethyl]-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-6-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-6-[2-[4-(2-furoyl)piperazino]-2-keto-ethyl]-1H-pyrimidin-4-one Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3)C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CCN1C(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3)C(=O)C4=CC=CO4

InChI

InChI=1S/C22H22N4O4S/c27-19-13-17(23-22(24-19)31-15-16-5-2-1-3-6-16)14-20(28)25-8-10-26(11-9-25)21(29)18-7-4-12-30-18/h1-7,12-13H,8-11,14-15H2,(H,23,24,27)