6-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-[2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-[2-(4-acetyl-1-piperazinyl)-2-oxoethyl]-2-[(3-methoxyphenyl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-[2-(4-acetylpiperazino)-2-keto-ethyl]-2-(m-anisylthio)-1H-pyrimidin-4-one Formula: C20H24N4O4S MolecularWeight: 416.49396

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O4S/c1-14(25)23-6-8-24(9-7-23)19(27)12-16-11-18(26)22-20(21-16)29-13-15-4-3-5-17(10-15)28-2/h3-5,10-11H,6-9,12-13H2,1-2H3,(H,21,22,26)