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

Systemtic Name: 6-[2-[4-(4-ethanoylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 6-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxo-ethyl]-2-benzylsulfanyl-1H-pyrimidin-4-one CAS Name: 6-[2-[4-(4-acetylphenyl)-1-piperazinyl]-2-oxoethyl]-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 6-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-2-benzylsulfanyl-1H-pyrimidin-4-one Traditional Name: 6-[2-[4-(4-acetylphenyl)piperazino]-2-keto-ethyl]-2-(benzylthio)-1H-pyrimidin-4-one Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CC3=CC(=O)N=C(N3)SCC4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CC3=CC(=O)N=C(N3)SCC4=CC=CC=C4

InChI

InChI=1S/C25H26N4O3S/c1-18(30)20-7-9-22(10-8-20)28-11-13-29(14-12-28)24(32)16-21-15-23(31)27-25(26-21)33-17-19-5-3-2-4-6-19/h2-10,15H,11-14,16-17H2,1H3,(H,26,27,31)