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

Systemtic Name: 6-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 6-[2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl]-2-benzylsulfanyl-1H-pyrimidin-4-one CAS Name: 6-[2-(4-acetyl-1-piperazinyl)-2-oxoethyl]-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 6-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2-benzylsulfanyl-1H-pyrimidin-4-one Traditional Name: 6-[2-(4-acetylpiperazino)-2-keto-ethyl]-2-(benzylthio)-1H-pyrimidin-4-one Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3

InChI

InChI=1S/C19H22N4O3S/c1-14(24)22-7-9-23(10-8-22)18(26)12-16-11-17(25)21-19(20-16)27-13-15-5-3-2-4-6-15/h2-6,11H,7-10,12-13H2,1H3,(H,20,21,25)